5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;methane;3-(methanesulfonamido)-5-methylthiophene-2-carboxylic acid

C45H60N10O7S4 — CID 159905601

IUPAC5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;methane;3-(methanesulfonamido)-5-methylthiophene-2-carboxylic acid
SMILESC.Cc1cc(C2CC2)nc2cc([C@@H]3CCCCN3)nn12.Cc1cc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cc3nc(C4CC4)cc(C)n3n2)s1.Cc1cc(NS(C)(=O)=O)c(C(=O)O)s1
InChIInChI=1S/C22H27N5O3S2.C15H20N4.C7H9NO4S2.CH4/c1-13-10-16(15-7-8-15)23-20-12-17(24-27(13)20)19-6-4-5-9-26(19)22(28)21-18(11-14(2)31-21)25-32(3,29)30;1-10-8-13(11-5-6-11)17-15-9-14(18-19(10)15)12-4-2-3-7-16-12;1-4-3-5(8-14(2,11)12)6(13-4)7(9)10;/h10-12,15,19,25H,4-9H2,1-3H3;8-9,11-12,16H,2-7H2,1H3;3,8H,1-2H3,(H,9,10);1H4/t19-;12-;;/m00../s1
InChIKeyNWNLLGUXWVHUED-DQDSISMHSA-N
MW981.31 g/mol
LogP8.52
Rot. Bonds10

About 5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;methane;3-(methanesulfonamido)-5-methylthiophene-2-carboxylic acid

5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;methane;3-(methanesulfonamido)-5-methylthiophene-2-carboxylic acid (PubChem CID 159905601) has the molecular formula C45H60N10O7S4 and a molecular weight of 981.31 g/mol. Its IUPAC name is 5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;methane;3-(methanesulfonamido)-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;methane;3-(methanesulfonamido)-5-methylthiophene-2-carboxylic acid
PubChem CID159905601
Molecular FormulaC45H60N10O7S4
Molecular Weight981.31 g/mol
Exact Mass980.35
IUPAC Name5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;methane;3-(methanesulfonamido)-5-methylthiophene-2-carboxylic acid
SMILESC.Cc1cc(C2CC2)nc2cc([C@@H]3CCCCN3)nn12.Cc1cc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cc3nc(C4CC4)cc(C)n3n2)s1.Cc1cc(NS(C)(=O)=O)c(C(=O)O)s1
InChIInChI=1S/C22H27N5O3S2.C15H20N4.C7H9NO4S2.CH4/c1-13-10-16(15-7-8-15)23-20-12-17(24-27(13)20)19-6-4-5-9-26(19)22(28)21-18(11-14(2)31-21)25-32(3,29)30;1-10-8-13(11-5-6-11)17-15-9-14(18-19(10)15)12-4-2-3-7-16-12;1-4-3-5(8-14(2,11)12)6(13-4)7(9)10;/h10-12,15,19,25H,4-9H2,1-3H3;8-9,11-12,16H,2-7H2,1H3;3,8H,1-2H3,(H,9,10);1H4/t19-;12-;;/m00../s1
InChIKeyNWNLLGUXWVHUED-DQDSISMHSA-N
XLogP8.52
TPSA222.36 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500981.31
LogP ≤ 58.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze 5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;methane;3-(methanesulfonamido)-5-methylthiophene-2-carboxylic acid with MolForge

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Related Compounds

5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenyl]methanone;2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylbenzoic acid;methane
CID 157317994
N-[2-[(2S)-2-[7-(dimethylamino)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;2-(methanesulfonamido)benzoic acid;N,N,5,6-tetramethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 158808316
5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenyl]methanone;2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylbenzoic acid
CID 158910508
5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenyl]methanone;5-ethyl-2-(methanesulfonamido)benzoic acid
CID 159236909
5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4,5-difluorophenyl]methanesulfonamide;4,5-difluoro-2-(methanesulfonamido)benzoic acid
CID 159294817
5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;3-(methanesulfonamido)-5-methylthiophene-2-carboxylic acid
CID 159410895
tert-butyl N-[(3S)-1-[2-[(2S)-1-[3-(methanesulfonamido)-5-methylthiophene-2-carbonyl]piperidin-2-yl]-7-methylimidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S)-1-[7-methyl-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]carbamate;3-(methanesulfonamido)-5-methylthiophene-2-carboxylic acid
CID 159583126
tert-butyl N-[(3S)-1-[2-[(2S)-1-[3-(methanesulfonamido)-5-methylthiophene-2-carbonyl]piperidin-2-yl]-7-methylimidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S)-1-[7-methyl-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]carbamate;methane;3-(methanesulfonamido)-5-methylthiophene-2-carboxylic acid
CID 160134764
N-[4-amino-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;5-amino-2-(methanesulfonamido)benzoic acid;5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;methane
CID 160206027
5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-ethylphenyl]methanesulfonamide;5-ethyl-2-(methanesulfonamido)benzoic acid
CID 161385747
5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;2-(methanesulfonamido)-5-methylbenzoic acid
CID 161785575
N-[4-amino-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;5-amino-2-(methanesulfonamido)benzoic acid;5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 162109209

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;methane;3-(methanesulfonamido)-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;methane;3-(methanesulfonamido)-5-methylthiophene-2-carboxylic acid (CID 159905601) is 5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;methane;3-(methanesulfonamido)-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;methane;3-(methanesulfonamido)-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;methane;3-(methanesulfonamido)-5-methylthiophene-2-carboxylic acid is C.Cc1cc(C2CC2)nc2cc([C@@H]3CCCCN3)nn12.Cc1cc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cc3nc(C4CC4)cc(C)n3n2)s1.Cc1cc(NS(C)(=O)=O)c(C(=O)O)s1.
What is the InChIKey of 5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;methane;3-(methanesulfonamido)-5-methylthiophene-2-carboxylic acid?
The InChIKey is NWNLLGUXWVHUED-DQDSISMHSA-N. The full InChI is InChI=1S/C22H27N5O3S2.C15H20N4.C7H9NO4S2.CH4/c1-13-10-16(15-7-8-15)23-20-12-17(24-27(13)20)19-6-4-5-9-26(19)22(28)21-18(11-14(2)31-21)25-32(3,29)30;1-10-8-13(11-5-6-11)17-15-9-14(18-19(10)15)12-4-2-3-7-16-12;1-4-3-5(8-14(2,11)12)6(13-4)7(9)10;/h10-12,15,19,25H,4-9H2,1-3H3;8-9,11-12,16H,2-7H2,1H3;3,8H,1-2H3,(H,9,10);1H4/t19-;12-;;/m00../s1.
What are the key properties of 5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;methane;3-(methanesulfonamido)-5-methylthiophene-2-carboxylic acid?
5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;methane;3-(methanesulfonamido)-5-methylthiophene-2-carboxylic acid has a molecular weight of 981.31 g/mol, XLogP of 8.52, 10 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;methane;3-(methanesulfonamido)-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 159905601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).