N-cyclopentyl-4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazole-5-carboxamide

C21H21N5O3S2 — CID 23537776

IUPACN-cyclopentyl-4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazole-5-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cn[nH]c4C(=O)NC4CCCC4)cn23)s1
InChIInChI=1S/C21H21N5O3S2/c1-31(28,29)19-9-7-17(30-19)16-11-22-18-8-6-13(12-26(16)18)15-10-23-25-20(15)21(27)24-14-4-2-3-5-14/h6-12,14H,2-5H2,1H3,(H,23,25)(H,24,27)
InChIKeyOGUHYWHQKKLGRC-UHFFFAOYSA-N
MW455.57 g/mol
LogP3.53
Rot. Bonds5

About N-cyclopentyl-4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazole-5-carboxamide

N-cyclopentyl-4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazole-5-carboxamide (PubChem CID 23537776) has the molecular formula C21H21N5O3S2 and a molecular weight of 455.57 g/mol. Its IUPAC name is N-cyclopentyl-4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazole-5-carboxamide
PubChem CID23537776
Molecular FormulaC21H21N5O3S2
Molecular Weight455.57 g/mol
Exact Mass455.11
IUPAC NameN-cyclopentyl-4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazole-5-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cn[nH]c4C(=O)NC4CCCC4)cn23)s1
InChIInChI=1S/C21H21N5O3S2/c1-31(28,29)19-9-7-17(30-19)16-11-22-18-8-6-13(12-26(16)18)15-10-23-25-20(15)21(27)24-14-4-2-3-5-14/h6-12,14H,2-5H2,1H3,(H,23,25)(H,24,27)
InChIKeyOGUHYWHQKKLGRC-UHFFFAOYSA-N
XLogP3.53
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.57
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-amino-1-phenylethyl)-4-(1H-pyrazol-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
CID 24803301
4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 59603981
US10100058, Example 36
CID 134539804
US10100058, Example 334
CID 134539766
N-[2-(diethylamino)ethyl]-8-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 145966266
N-[2-(diethylamino)ethyl]-5-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)imidazo[1,2-a]pyridine-7-carboxamide
CID 145971606
5-[7-(1-Methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
CID 164618457
5-[7-[1-[2-(Dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
CID 164622155
N-[[5-(1-methylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 89793510
N-[[5-(1-propylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 89793512
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(3-thiophen-2-ylpyrazol-1-yl)acetamide
CID 90683645
N-[[5-(1-propan-2-ylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 118193525

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazole-5-carboxamide (CID 23537776) is N-cyclopentyl-4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazole-5-carboxamide is CS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cn[nH]c4C(=O)NC4CCCC4)cn23)s1.
What is the InChIKey of N-cyclopentyl-4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is OGUHYWHQKKLGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3S2/c1-31(28,29)19-9-7-17(30-19)16-11-22-18-8-6-13(12-26(16)18)15-10-23-25-20(15)21(27)24-14-4-2-3-5-14/h6-12,14H,2-5H2,1H3,(H,23,25)(H,24,27).
What are the key properties of N-cyclopentyl-4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazole-5-carboxamide?
N-cyclopentyl-4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 455.57 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 23537776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).