N-[[(1R,2S)-2-(methanesulfonamido)cyclopentyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C15H24N4O3S — CID 124572390

IUPACN-[[(1R,2S)-2-(methanesulfonamido)cyclopentyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1cnn2c1CCCC2
InChIInChI=1S/C15H24N4O3S/c1-23(21,22)18-13-6-4-5-11(13)9-16-15(20)12-10-17-19-8-3-2-7-14(12)19/h10-11,13,18H,2-9H2,1H3,(H,16,20)/t11-,13+/m1/s1
InChIKeyMGARDILFBDSFQH-YPMHNXCESA-N
MW340.45 g/mol
LogP0.67
Rot. Bonds5

About N-[[(1R,2S)-2-(methanesulfonamido)cyclopentyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

N-[[(1R,2S)-2-(methanesulfonamido)cyclopentyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 124572390) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[[(1R,2S)-2-(methanesulfonamido)cyclopentyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(1R,2S)-2-(methanesulfonamido)cyclopentyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID124572390
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC NameN-[[(1R,2S)-2-(methanesulfonamido)cyclopentyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1cnn2c1CCCC2
InChIInChI=1S/C15H24N4O3S/c1-23(21,22)18-13-6-4-5-11(13)9-16-15(20)12-10-17-19-8-3-2-7-14(12)19/h10-11,13,18H,2-9H2,1H3,(H,16,20)/t11-,13+/m1/s1
InChIKeyMGARDILFBDSFQH-YPMHNXCESA-N
XLogP0.67
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid
CID 120525619
2-(4-aminophenyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]acetamide;hydrochloride
CID 119821585
N-[(5-methylpyrazin-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 56893899
N-[(1R,3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 133131803
N-[[2-(methanesulfonamido)cyclopentyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119821597
8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)octanoic acid
CID 120535565
2-indazol-1-yl-N-[[(1R,2R)-2-(methanesulfonamido)cyclopentyl]methyl]acetamide
CID 96539483
2-indazol-1-yl-N-[[(1R,2S)-2-(methanesulfonamido)cyclopentyl]methyl]acetamide
CID 96539486
4-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]benzoic acid
CID 120512943
N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 99704160
1-[[2-(methanesulfonamido)cyclohexyl]methyl]-3-(1,2-thiazol-4-yl)urea
CID 167932968
methyl 1-[(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)methyl]cyclohexane-1-carboxylate
CID 75520661

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S)-2-(methanesulfonamido)cyclopentyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[[(1R,2S)-2-(methanesulfonamido)cyclopentyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 124572390) is N-[[(1R,2S)-2-(methanesulfonamido)cyclopentyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[[(1R,2S)-2-(methanesulfonamido)cyclopentyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[[(1R,2S)-2-(methanesulfonamido)cyclopentyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1cnn2c1CCCC2.
What is the InChIKey of N-[[(1R,2S)-2-(methanesulfonamido)cyclopentyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is MGARDILFBDSFQH-YPMHNXCESA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-23(21,22)18-13-6-4-5-11(13)9-16-15(20)12-10-17-19-8-3-2-7-14(12)19/h10-11,13,18H,2-9H2,1H3,(H,16,20)/t11-,13+/m1/s1.
What are the key properties of N-[[(1R,2S)-2-(methanesulfonamido)cyclopentyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
N-[[(1R,2S)-2-(methanesulfonamido)cyclopentyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2S)-2-(methanesulfonamido)cyclopentyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 124572390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).