2-(methanesulfonamido)-5-[[2-[7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclopropyl]methyl]benzoic acid

C24H29N5O4S — CID 146791372

IUPAC2-(methanesulfonamido)-5-[[2-[7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclopropyl]methyl]benzoic acid
SMILESCc1cc(C2CC2Cc2ccc(NS(C)(=O)=O)c(C(=O)O)c2)nc2cc([C@@H]3CCCCN3)nn12
InChIInChI=1S/C24H29N5O4S/c1-14-9-21(26-23-13-22(27-29(14)23)20-5-3-4-8-25-20)17-12-16(17)10-15-6-7-19(28-34(2,32)33)18(11-15)24(30)31/h6-7,9,11,13,16-17,20,25,28H,3-5,8,10,12H2,1-2H3,(H,30,31)/t16?,17?,20-/m0/s1
InChIKeyRVWRWPMXRVJUFW-UHYCVJNDSA-N
MW483.59 g/mol
LogP3.27
Rot. Bonds7

About 2-(methanesulfonamido)-5-[[2-[7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclopropyl]methyl]benzoic acid

2-(methanesulfonamido)-5-[[2-[7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclopropyl]methyl]benzoic acid (PubChem CID 146791372) has the molecular formula C24H29N5O4S and a molecular weight of 483.59 g/mol. Its IUPAC name is 2-(methanesulfonamido)-5-[[2-[7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclopropyl]methyl]benzoic acid.

Molecular Properties

Compound Name2-(methanesulfonamido)-5-[[2-[7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclopropyl]methyl]benzoic acid
PubChem CID146791372
Molecular FormulaC24H29N5O4S
Molecular Weight483.59 g/mol
Exact Mass483.19
IUPAC Name2-(methanesulfonamido)-5-[[2-[7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclopropyl]methyl]benzoic acid
SMILESCc1cc(C2CC2Cc2ccc(NS(C)(=O)=O)c(C(=O)O)c2)nc2cc([C@@H]3CCCCN3)nn12
InChIInChI=1S/C24H29N5O4S/c1-14-9-21(26-23-13-22(27-29(14)23)20-5-3-4-8-25-20)17-12-16(17)10-15-6-7-19(28-34(2,32)33)18(11-15)24(30)31/h6-7,9,11,13,16-17,20,25,28H,3-5,8,10,12H2,1-2H3,(H,30,31)/t16?,17?,20-/m0/s1
InChIKeyRVWRWPMXRVJUFW-UHYCVJNDSA-N
XLogP3.27
TPSA125.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-(methanesulfonamido)-5-[[2-[7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclopropyl]methyl]benzoic acid with MolForge

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Related Compounds

N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide
CID 54764003
N-[2-[(2S)-2-[5,6-dimethyl-7-(methylamino)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide
CID 58030031
N-[4-methyl-2-[(2S)-2-(5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 58030032
N-[2-[(2S)-2-[5,6-dimethyl-7-(methylamino)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 58030143
N-[2-[(2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide
CID 89849793
2-[1-[5-(4,4-Dimethylpiperidin-1-yl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-7-yl]ethylamino]benzoic acid
CID 170344437
2-[1-[5-(4,4-Dimethylpiperidin-1-yl)-9-methyltetrazolo[1,5-c]quinazolin-7-yl]ethylamino]benzoic acid
CID 170344445
2-[1-[5-(4,4-Dimethylpiperidin-1-yl)-9-methyl-[1,2,4]triazolo[1,5-c]quinazolin-7-yl]ethylamino]benzoic acid
CID 170344524
3-{1-[(2,5,7-Trimethylpyrazolo[1,5-a]pyrimidin-3-yl)carbonyl]piperidin-3-yl}benzoic acid
CID 72854580
3,5-Dimethyl-2-[[5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfonylamino]benzoic acid
CID 20140556
2-[(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonyl-ethylamino]-3-fluorobenzoic acid
CID 67937396
2-[(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonyl-methylamino]-3-(trifluoromethyl)benzoic acid
CID 67937479

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-5-[[2-[7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclopropyl]methyl]benzoic acid?
The IUPAC name of 2-(methanesulfonamido)-5-[[2-[7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclopropyl]methyl]benzoic acid (CID 146791372) is 2-(methanesulfonamido)-5-[[2-[7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclopropyl]methyl]benzoic acid.
What is the SMILES notation for 2-(methanesulfonamido)-5-[[2-[7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclopropyl]methyl]benzoic acid?
The canonical SMILES for 2-(methanesulfonamido)-5-[[2-[7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclopropyl]methyl]benzoic acid is Cc1cc(C2CC2Cc2ccc(NS(C)(=O)=O)c(C(=O)O)c2)nc2cc([C@@H]3CCCCN3)nn12.
What is the InChIKey of 2-(methanesulfonamido)-5-[[2-[7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclopropyl]methyl]benzoic acid?
The InChIKey is RVWRWPMXRVJUFW-UHYCVJNDSA-N. The full InChI is InChI=1S/C24H29N5O4S/c1-14-9-21(26-23-13-22(27-29(14)23)20-5-3-4-8-25-20)17-12-16(17)10-15-6-7-19(28-34(2,32)33)18(11-15)24(30)31/h6-7,9,11,13,16-17,20,25,28H,3-5,8,10,12H2,1-2H3,(H,30,31)/t16?,17?,20-/m0/s1.
What are the key properties of 2-(methanesulfonamido)-5-[[2-[7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclopropyl]methyl]benzoic acid?
2-(methanesulfonamido)-5-[[2-[7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclopropyl]methyl]benzoic acid has a molecular weight of 483.59 g/mol, XLogP of 3.27, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-5-[[2-[7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclopropyl]methyl]benzoic acid is sourced from PubChem (CID 146791372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).