6-[(2S)-2-[5-[(3S,4R)-3-cyano-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]pyridine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(isoquinoline-1-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-methoxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3-methoxy-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile

C135H151N33O7 — CID 158268732

IUPAC6-[(2S)-2-[5-[(3S,4R)-3-cyano-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]pyridine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(isoquinoline-1-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-methoxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3-methoxy-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile
SMILESCOc1cccc(C(=O)N2CCCC[C@H]2c2cc3nc(N4C[C@@H](C#N)[C@@H](C)C4)c(C)cn3n2)c1C.COc1ccccc1C(=O)N1CCCC[C@H]1c1cc2nc(N3C[C@@H](C#N)[C@@H](C)C3)c(C)cn2n1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cn3)cc2nc1N1C[C@@H](C#N)[C@@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccc4c3CCCC4)cc2nc1N1C[C@@H](C#N)[C@@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3nccc4ccccc34)cc2nc1N1C[C@@H](C#N)[C@@H](C)C1
InChIInChI=1S/C29H34N6O.C28H29N7O.C27H32N6O2.C26H30N6O2.C25H26N8O/c1-19-16-33(18-22(19)15-30)28-20(2)17-35-27(31-28)14-25(32-35)26-12-5-6-13-34(26)29(36)24-11-7-9-21-8-3-4-10-23(21)24;1-18-15-33(17-21(18)14-29)27-19(2)16-35-25(31-27)13-23(32-35)24-9-5-6-12-34(24)28(36)26-22-8-4-3-7-20(22)10-11-30-26;1-17-14-31(16-20(17)13-28)26-18(2)15-33-25(29-26)12-22(30-33)23-9-5-6-11-32(23)27(34)21-8-7-10-24(35-4)19(21)3;1-17-14-30(16-19(17)13-27)25-18(2)15-32-24(28-25)12-21(29-32)22-9-6-7-11-31(22)26(33)20-8-4-5-10-23(20)34-3;1-16-13-31(15-19(16)11-27)24-17(2)14-33-23(29-24)9-21(30-33)22-5-3-4-8-32(22)25(34)20-7-6-18(10-26)12-28-20/h7,9,11,14,17,19,22,26H,3-6,8,10,12-13,16,18H2,1-2H3;3-4,7-8,10-11,13,16,18,21,24H,5-6,9,12,15,17H2,1-2H3;7-8,10,12,15,17,20,23H,5-6,9,11,14,16H2,1-4H3;4-5,8,10,12,15,17,19,22H,6-7,9,11,14,16H2,1-3H3;6-7,9,12,14,16,19,22H,3-5,8,13,15H2,1-2H3/t19-,22+,26-;18-,21+,24-;17-,20+,23-;17-,19+,22-;16-,19+,22-/m00000/s1
InChIKeyGITRTRXOSJRMBG-IRABLCQISA-N
MW2347.92 g/mol
LogP21.02
Rot. Bonds17

About 6-[(2S)-2-[5-[(3S,4R)-3-cyano-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]pyridine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(isoquinoline-1-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-methoxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3-methoxy-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile

6-[(2S)-2-[5-[(3S,4R)-3-cyano-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]pyridine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(isoquinoline-1-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-methoxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3-methoxy-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile (PubChem CID 158268732) has the molecular formula C135H151N33O7 and a molecular weight of 2347.92 g/mol. Its IUPAC name is 6-[(2S)-2-[5-[(3S,4R)-3-cyano-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]pyridine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(isoquinoline-1-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-methoxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3-methoxy-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name6-[(2S)-2-[5-[(3S,4R)-3-cyano-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]pyridine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(isoquinoline-1-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-methoxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3-methoxy-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile
PubChem CID158268732
Molecular FormulaC135H151N33O7
Molecular Weight2347.92 g/mol
Exact Mass2346.25
IUPAC Name6-[(2S)-2-[5-[(3S,4R)-3-cyano-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]pyridine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(isoquinoline-1-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-methoxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3-methoxy-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile
SMILESCOc1cccc(C(=O)N2CCCC[C@H]2c2cc3nc(N4C[C@@H](C#N)[C@@H](C)C4)c(C)cn3n2)c1C.COc1ccccc1C(=O)N1CCCC[C@H]1c1cc2nc(N3C[C@@H](C#N)[C@@H](C)C3)c(C)cn2n1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cn3)cc2nc1N1C[C@@H](C#N)[C@@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccc4c3CCCC4)cc2nc1N1C[C@@H](C#N)[C@@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3nccc4ccccc34)cc2nc1N1C[C@@H](C#N)[C@@H](C)C1
InChIInChI=1S/C29H34N6O.C28H29N7O.C27H32N6O2.C26H30N6O2.C25H26N8O/c1-19-16-33(18-22(19)15-30)28-20(2)17-35-27(31-28)14-25(32-35)26-12-5-6-13-34(26)29(36)24-11-7-9-21-8-3-4-10-23(21)24;1-18-15-33(17-21(18)14-29)27-19(2)16-35-25(31-27)13-23(32-35)24-9-5-6-12-34(24)28(36)26-22-8-4-3-7-20(22)10-11-30-26;1-17-14-31(16-20(17)13-28)26-18(2)15-33-25(29-26)12-22(30-33)23-9-5-6-11-32(23)27(34)21-8-7-10-24(35-4)19(21)3;1-17-14-30(16-19(17)13-27)25-18(2)15-32-24(28-25)12-21(29-32)22-9-6-7-11-31(22)26(33)20-8-4-5-10-23(20)34-3;1-16-13-31(15-19(16)11-27)24-17(2)14-33-23(29-24)9-21(30-33)22-5-3-4-8-32(22)25(34)20-7-6-18(10-26)12-28-20/h7,9,11,14,17,19,22,26H,3-6,8,10,12-13,16,18H2,1-2H3;3-4,7-8,10-11,13,16,18,21,24H,5-6,9,12,15,17H2,1-2H3;7-8,10,12,15,17,20,23H,5-6,9,11,14,16H2,1-4H3;4-5,8,10,12,15,17,19,22H,6-7,9,11,14,16H2,1-3H3;6-7,9,12,14,16,19,22H,3-5,8,13,15H2,1-2H3/t19-,22+,26-;18-,21+,24-;17-,20+,23-;17-,19+,22-;16-,19+,22-/m00000/s1
InChIKeyGITRTRXOSJRMBG-IRABLCQISA-N
XLogP21.02
TPSA455.68 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds17
Heavy Atoms175
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002347.92
LogP ≤ 521.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze 6-[(2S)-2-[5-[(3S,4R)-3-cyano-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]pyridine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(isoquinoline-1-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-methoxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3-methoxy-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-[5-[(3S,4R)-3-cyano-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]pyridine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(isoquinoline-1-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-methoxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3-methoxy-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile?
The IUPAC name of 6-[(2S)-2-[5-[(3S,4R)-3-cyano-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]pyridine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(isoquinoline-1-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-methoxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3-methoxy-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile (CID 158268732) is 6-[(2S)-2-[5-[(3S,4R)-3-cyano-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]pyridine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(isoquinoline-1-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-methoxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3-methoxy-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile.
What is the SMILES notation for 6-[(2S)-2-[5-[(3S,4R)-3-cyano-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]pyridine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(isoquinoline-1-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-methoxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3-methoxy-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile?
The canonical SMILES for 6-[(2S)-2-[5-[(3S,4R)-3-cyano-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]pyridine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(isoquinoline-1-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-methoxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3-methoxy-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile is COc1cccc(C(=O)N2CCCC[C@H]2c2cc3nc(N4C[C@@H](C#N)[C@@H](C)C4)c(C)cn3n2)c1C.COc1ccccc1C(=O)N1CCCC[C@H]1c1cc2nc(N3C[C@@H](C#N)[C@@H](C)C3)c(C)cn2n1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cn3)cc2nc1N1C[C@@H](C#N)[C@@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccc4c3CCCC4)cc2nc1N1C[C@@H](C#N)[C@@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3nccc4ccccc34)cc2nc1N1C[C@@H](C#N)[C@@H](C)C1.
What is the InChIKey of 6-[(2S)-2-[5-[(3S,4R)-3-cyano-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]pyridine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(isoquinoline-1-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-methoxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3-methoxy-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile?
The InChIKey is GITRTRXOSJRMBG-IRABLCQISA-N. The full InChI is InChI=1S/C29H34N6O.C28H29N7O.C27H32N6O2.C26H30N6O2.C25H26N8O/c1-19-16-33(18-22(19)15-30)28-20(2)17-35-27(31-28)14-25(32-35)26-12-5-6-13-34(26)29(36)24-11-7-9-21-8-3-4-10-23(21)24;1-18-15-33(17-21(18)14-29)27-19(2)16-35-25(31-27)13-23(32-35)24-9-5-6-12-34(24)28(36)26-22-8-4-3-7-20(22)10-11-30-26;1-17-14-31(16-20(17)13-28)26-18(2)15-33-25(29-26)12-22(30-33)23-9-5-6-11-32(23)27(34)21-8-7-10-24(35-4)19(21)3;1-17-14-30(16-19(17)13-27)25-18(2)15-32-24(28-25)12-21(29-32)22-9-6-7-11-31(22)26(33)20-8-4-5-10-23(20)34-3;1-16-13-31(15-19(16)11-27)24-17(2)14-33-23(29-24)9-21(30-33)22-5-3-4-8-32(22)25(34)20-7-6-18(10-26)12-28-20/h7,9,11,14,17,19,22,26H,3-6,8,10,12-13,16,18H2,1-2H3;3-4,7-8,10-11,13,16,18,21,24H,5-6,9,12,15,17H2,1-2H3;7-8,10,12,15,17,20,23H,5-6,9,11,14,16H2,1-4H3;4-5,8,10,12,15,17,19,22H,6-7,9,11,14,16H2,1-3H3;6-7,9,12,14,16,19,22H,3-5,8,13,15H2,1-2H3/t19-,22+,26-;18-,21+,24-;17-,20+,23-;17-,19+,22-;16-,19+,22-/m00000/s1.
What are the key properties of 6-[(2S)-2-[5-[(3S,4R)-3-cyano-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]pyridine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(isoquinoline-1-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-methoxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3-methoxy-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile?
6-[(2S)-2-[5-[(3S,4R)-3-cyano-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]pyridine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(isoquinoline-1-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-methoxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3-methoxy-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile has a molecular weight of 2347.92 g/mol, XLogP of 21.02, 17 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-[5-[(3S,4R)-3-cyano-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]pyridine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(isoquinoline-1-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-methoxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3-methoxy-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile is sourced from PubChem (CID 158268732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).