N-[2-[(2S)-2-[7-(azetidin-1-yl)-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[7-(azetidin-1-yl)-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide

C101H119Cl3N24O12S3 — CID 158372391

IUPACN-[2-[(2S)-2-[7-(azetidin-1-yl)-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[7-(azetidin-1-yl)-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc2nc(C3CC3)cc(C)n2n1.CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc2nc(C3CC3)cc(N3CCC3)n2n1.CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CCC3)cc(N3CCOCC3)n2n1.Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cc3nc(C4CC4)cc(N4CCC4)n3n2)c1
InChIInChI=1S/C26H32ClN7O4S.C26H32N6O3S.C25H29ClN6O3S.C24H26ClN5O2/c1-39(36,37)30-20-7-6-18(27)15-19(20)26(35)33-10-3-2-5-22(33)21-16-24-28-23(31-8-4-9-31)17-25(34(24)29-21)32-11-13-38-14-12-32;1-17-7-10-20(29-36(2,34)35)19(14-17)26(33)31-13-4-3-6-23(31)22-15-24-27-21(18-8-9-18)16-25(32(24)28-22)30-11-5-12-30;1-36(34,35)29-19-9-8-17(26)13-18(19)25(33)31-12-3-2-5-22(31)21-14-23-27-20(16-6-7-16)15-24(32(23)28-21)30-10-4-11-30;1-14-11-20(16-6-7-16)27-23-13-21(28-30(14)23)22-5-3-4-10-29(22)24(32)18-12-17(25)8-9-19(18)26-15(2)31/h6-7,15-17,22,30H,2-5,8-14H2,1H3;7,10,14-16,18,23,29H,3-6,8-9,11-13H2,1-2H3;8-9,13-16,22,29H,2-7,10-12H2,1H3;8-9,11-13,16,22H,3-7,10H2,1-2H3,(H,26,31)/t22-;23-;2*22-/m0000/s1
InChIKeyGUTSFOMWDGERQI-CSGDWRFTSA-N
MW2063.78 g/mol
LogP16.14
Rot. Bonds22

About N-[2-[(2S)-2-[7-(azetidin-1-yl)-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[7-(azetidin-1-yl)-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide

N-[2-[(2S)-2-[7-(azetidin-1-yl)-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[7-(azetidin-1-yl)-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide (PubChem CID 158372391) has the molecular formula C101H119Cl3N24O12S3 and a molecular weight of 2063.78 g/mol. Its IUPAC name is N-[2-[(2S)-2-[7-(azetidin-1-yl)-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[7-(azetidin-1-yl)-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2S)-2-[7-(azetidin-1-yl)-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[7-(azetidin-1-yl)-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide
PubChem CID158372391
Molecular FormulaC101H119Cl3N24O12S3
Molecular Weight2063.78 g/mol
Exact Mass2060.77
IUPAC NameN-[2-[(2S)-2-[7-(azetidin-1-yl)-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[7-(azetidin-1-yl)-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc2nc(C3CC3)cc(C)n2n1.CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc2nc(C3CC3)cc(N3CCC3)n2n1.CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CCC3)cc(N3CCOCC3)n2n1.Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cc3nc(C4CC4)cc(N4CCC4)n3n2)c1
InChIInChI=1S/C26H32ClN7O4S.C26H32N6O3S.C25H29ClN6O3S.C24H26ClN5O2/c1-39(36,37)30-20-7-6-18(27)15-19(20)26(35)33-10-3-2-5-22(33)21-16-24-28-23(31-8-4-9-31)17-25(34(24)29-21)32-11-13-38-14-12-32;1-17-7-10-20(29-36(2,34)35)19(14-17)26(33)31-13-4-3-6-23(31)22-15-24-27-21(18-8-9-18)16-25(32(24)28-22)30-11-5-12-30;1-36(34,35)29-19-9-8-17(26)13-18(19)25(33)31-12-3-2-5-22(31)21-14-23-27-20(16-6-7-16)15-24(32(23)28-21)30-10-4-11-30;1-14-11-20(16-6-7-16)27-23-13-21(28-30(14)23)22-5-3-4-10-29(22)24(32)18-12-17(25)8-9-19(18)26-15(2)31/h6-7,15-17,22,30H,2-5,8-14H2,1H3;7,10,14-16,18,23,29H,3-6,8-9,11-13H2,1-2H3;8-9,13-16,22,29H,2-7,10-12H2,1H3;8-9,11-13,16,22H,3-7,10H2,1-2H3,(H,26,31)/t22-;23-;2*22-/m0000/s1
InChIKeyGUTSFOMWDGERQI-CSGDWRFTSA-N
XLogP16.14
TPSA391.80 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds22
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002063.78
LogP ≤ 516.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Analyze N-[2-[(2S)-2-[7-(azetidin-1-yl)-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[7-(azetidin-1-yl)-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-[7-(azetidin-1-yl)-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[7-(azetidin-1-yl)-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[2-[(2S)-2-[7-(azetidin-1-yl)-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[7-(azetidin-1-yl)-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide (CID 158372391) is N-[2-[(2S)-2-[7-(azetidin-1-yl)-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[7-(azetidin-1-yl)-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[(2S)-2-[7-(azetidin-1-yl)-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[7-(azetidin-1-yl)-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[2-[(2S)-2-[7-(azetidin-1-yl)-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[7-(azetidin-1-yl)-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc2nc(C3CC3)cc(C)n2n1.CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc2nc(C3CC3)cc(N3CCC3)n2n1.CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CCC3)cc(N3CCOCC3)n2n1.Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cc3nc(C4CC4)cc(N4CCC4)n3n2)c1.
What is the InChIKey of N-[2-[(2S)-2-[7-(azetidin-1-yl)-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[7-(azetidin-1-yl)-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide?
The InChIKey is GUTSFOMWDGERQI-CSGDWRFTSA-N. The full InChI is InChI=1S/C26H32ClN7O4S.C26H32N6O3S.C25H29ClN6O3S.C24H26ClN5O2/c1-39(36,37)30-20-7-6-18(27)15-19(20)26(35)33-10-3-2-5-22(33)21-16-24-28-23(31-8-4-9-31)17-25(34(24)29-21)32-11-13-38-14-12-32;1-17-7-10-20(29-36(2,34)35)19(14-17)26(33)31-13-4-3-6-23(31)22-15-24-27-21(18-8-9-18)16-25(32(24)28-22)30-11-5-12-30;1-36(34,35)29-19-9-8-17(26)13-18(19)25(33)31-12-3-2-5-22(31)21-14-23-27-20(16-6-7-16)15-24(32(23)28-21)30-10-4-11-30;1-14-11-20(16-6-7-16)27-23-13-21(28-30(14)23)22-5-3-4-10-29(22)24(32)18-12-17(25)8-9-19(18)26-15(2)31/h6-7,15-17,22,30H,2-5,8-14H2,1H3;7,10,14-16,18,23,29H,3-6,8-9,11-13H2,1-2H3;8-9,13-16,22,29H,2-7,10-12H2,1H3;8-9,11-13,16,22H,3-7,10H2,1-2H3,(H,26,31)/t22-;23-;2*22-/m0000/s1.
What are the key properties of N-[2-[(2S)-2-[7-(azetidin-1-yl)-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[7-(azetidin-1-yl)-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide?
N-[2-[(2S)-2-[7-(azetidin-1-yl)-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[7-(azetidin-1-yl)-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide has a molecular weight of 2063.78 g/mol, XLogP of 16.14, 22 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-[7-(azetidin-1-yl)-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[7-(azetidin-1-yl)-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 158372391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).