[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1-propan-2-ylpyrazol-5-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone

C78H95N21O4 — CID 157127766

IUPAC[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1-propan-2-ylpyrazol-5-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
SMILESCc1cn2nc([C@@H]3CCCCN3C(=O)c3c(C)cnn3C(C)C)cc2nc1N1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(-c4ccccc4)on3)cc2nc1N1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(-c4cccnc4)n[nH]3)cc2nc1N1CC[C@H](C)C1
InChIInChI=1S/C27H30N6O2.C26H30N8O.C25H35N7O/c1-18-11-13-31(16-18)26-19(2)17-33-25(28-26)15-21(29-33)23-10-6-7-12-32(23)27(34)22-14-24(35-30-22)20-8-4-3-5-9-20;1-17-8-11-32(15-17)25-18(2)16-34-24(28-25)13-21(31-34)23-7-3-4-10-33(23)26(35)22-12-20(29-30-22)19-6-5-9-27-14-19;1-16(2)32-23(18(4)13-26-32)25(33)30-10-7-6-8-21(30)20-12-22-27-24(19(5)15-31(22)28-20)29-11-9-17(3)14-29/h3-5,8-9,14-15,17-18,23H,6-7,10-13,16H2,1-2H3;5-6,9,12-14,16-17,23H,3-4,7-8,10-11,15H2,1-2H3,(H,29,30);12-13,15-17,21H,6-11,14H2,1-5H3/t18-,23-;17-,23-;17-,21-/m000/s1
InChIKeyAIRZWSRNIRPFJJ-WRDJELEQSA-N
MW1390.76 g/mol
LogP13.28
Rot. Bonds12

About [(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1-propan-2-ylpyrazol-5-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone

[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1-propan-2-ylpyrazol-5-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone (PubChem CID 157127766) has the molecular formula C78H95N21O4 and a molecular weight of 1390.76 g/mol. Its IUPAC name is [(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1-propan-2-ylpyrazol-5-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1-propan-2-ylpyrazol-5-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
PubChem CID157127766
Molecular FormulaC78H95N21O4
Molecular Weight1390.76 g/mol
Exact Mass1389.79
IUPAC Name[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1-propan-2-ylpyrazol-5-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
SMILESCc1cn2nc([C@@H]3CCCCN3C(=O)c3c(C)cnn3C(C)C)cc2nc1N1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(-c4ccccc4)on3)cc2nc1N1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(-c4cccnc4)n[nH]3)cc2nc1N1CC[C@H](C)C1
InChIInChI=1S/C27H30N6O2.C26H30N8O.C25H35N7O/c1-18-11-13-31(16-18)26-19(2)17-33-25(28-26)15-21(29-33)23-10-6-7-12-32(23)27(34)22-14-24(35-30-22)20-8-4-3-5-9-20;1-17-8-11-32(15-17)25-18(2)16-34-24(28-25)13-21(31-34)23-7-3-4-10-33(23)26(35)22-12-20(29-30-22)19-6-5-9-27-14-19;1-16(2)32-23(18(4)13-26-32)25(33)30-10-7-6-8-21(30)20-12-22-27-24(19(5)15-31(22)28-20)29-11-9-17(3)14-29/h3-5,8-9,14-15,17-18,23H,6-7,10-13,16H2,1-2H3;5-6,9,12-14,16-17,23H,3-4,7-8,10-11,15H2,1-2H3,(H,29,30);12-13,15-17,21H,6-11,14H2,1-5H3/t18-,23-;17-,23-;17-,21-/m000/s1
InChIKeyAIRZWSRNIRPFJJ-WRDJELEQSA-N
XLogP13.28
TPSA246.64 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001390.76
LogP ≤ 513.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze [(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1-propan-2-ylpyrazol-5-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1-propan-2-ylpyrazol-5-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?
The IUPAC name of [(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1-propan-2-ylpyrazol-5-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone (CID 157127766) is [(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1-propan-2-ylpyrazol-5-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1-propan-2-ylpyrazol-5-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1-propan-2-ylpyrazol-5-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone is Cc1cn2nc([C@@H]3CCCCN3C(=O)c3c(C)cnn3C(C)C)cc2nc1N1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(-c4ccccc4)on3)cc2nc1N1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(-c4cccnc4)n[nH]3)cc2nc1N1CC[C@H](C)C1.
What is the InChIKey of [(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1-propan-2-ylpyrazol-5-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?
The InChIKey is AIRZWSRNIRPFJJ-WRDJELEQSA-N. The full InChI is InChI=1S/C27H30N6O2.C26H30N8O.C25H35N7O/c1-18-11-13-31(16-18)26-19(2)17-33-25(28-26)15-21(29-33)23-10-6-7-12-32(23)27(34)22-14-24(35-30-22)20-8-4-3-5-9-20;1-17-8-11-32(15-17)25-18(2)16-34-24(28-25)13-21(31-34)23-7-3-4-10-33(23)26(35)22-12-20(29-30-22)19-6-5-9-27-14-19;1-16(2)32-23(18(4)13-26-32)25(33)30-10-7-6-8-21(30)20-12-22-27-24(19(5)15-31(22)28-20)29-11-9-17(3)14-29/h3-5,8-9,14-15,17-18,23H,6-7,10-13,16H2,1-2H3;5-6,9,12-14,16-17,23H,3-4,7-8,10-11,15H2,1-2H3,(H,29,30);12-13,15-17,21H,6-11,14H2,1-5H3/t18-,23-;17-,23-;17-,21-/m000/s1.
What are the key properties of [(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1-propan-2-ylpyrazol-5-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?
[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1-propan-2-ylpyrazol-5-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone has a molecular weight of 1390.76 g/mol, XLogP of 13.28, 12 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1-propan-2-ylpyrazol-5-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 157127766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).