N-cyclopentyl-1-(2-methylpropyl)-5-(2-methyl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C21H29N5O2S — CID 26146434

IUPACN-cyclopentyl-1-(2-methylpropyl)-5-(2-methyl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1nc(C(=O)N2CCc3c(c(C(=O)NC4CCCC4)nn3CC(C)C)C2)cs1
InChIInChI=1S/C21H29N5O2S/c1-13(2)10-26-18-8-9-25(21(28)17-12-29-14(3)22-17)11-16(18)19(24-26)20(27)23-15-6-4-5-7-15/h12-13,15H,4-11H2,1-3H3,(H,23,27)
InChIKeyNLMUURZKUFGKSX-UHFFFAOYSA-N
MW415.56 g/mol
LogP3.17
Rot. Bonds5

About N-cyclopentyl-1-(2-methylpropyl)-5-(2-methyl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-cyclopentyl-1-(2-methylpropyl)-5-(2-methyl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26146434) has the molecular formula C21H29N5O2S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-cyclopentyl-1-(2-methylpropyl)-5-(2-methyl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(2-methylpropyl)-5-(2-methyl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID26146434
Molecular FormulaC21H29N5O2S
Molecular Weight415.56 g/mol
Exact Mass415.20
IUPAC NameN-cyclopentyl-1-(2-methylpropyl)-5-(2-methyl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1nc(C(=O)N2CCc3c(c(C(=O)NC4CCCC4)nn3CC(C)C)C2)cs1
InChIInChI=1S/C21H29N5O2S/c1-13(2)10-26-18-8-9-25(21(28)17-12-29-14(3)22-17)11-16(18)19(24-26)20(27)23-15-6-4-5-7-15/h12-13,15H,4-11H2,1-3H3,(H,23,27)
InChIKeyNLMUURZKUFGKSX-UHFFFAOYSA-N
XLogP3.17
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-isopropyl-1-methyl-1H-pyrazole-5-carboxamide
CID 50975850
2,5-dimethyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrazole-3-carboxamide
CID 53611504
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-isopropyl-1-methyl-1H-pyrazole-5-carboxamide
CID 70712275
[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 72145425
N-isopropyl-3-{5-[(2-methyl-1,3-thiazol-4-yl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}propanamide
CID 72925446
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-methyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide
CID 124206359
5-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 125525000
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide
CID 129611767
(6S)-6-[3,5-dimethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]piperidin-2-one
CID 164634002
2,4-dimethyl-N-[[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 164636362
N-propan-2-yl-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide
CID 66874718
N-(3-amino-3-oxopropyl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide
CID 66874940

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(2-methylpropyl)-5-(2-methyl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-(2-methylpropyl)-5-(2-methyl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26146434) is N-cyclopentyl-1-(2-methylpropyl)-5-(2-methyl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(2-methylpropyl)-5-(2-methyl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(2-methylpropyl)-5-(2-methyl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cc1nc(C(=O)N2CCc3c(c(C(=O)NC4CCCC4)nn3CC(C)C)C2)cs1.
What is the InChIKey of N-cyclopentyl-1-(2-methylpropyl)-5-(2-methyl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is NLMUURZKUFGKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2S/c1-13(2)10-26-18-8-9-25(21(28)17-12-29-14(3)22-17)11-16(18)19(24-26)20(27)23-15-6-4-5-7-15/h12-13,15H,4-11H2,1-3H3,(H,23,27).
What are the key properties of N-cyclopentyl-1-(2-methylpropyl)-5-(2-methyl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-cyclopentyl-1-(2-methylpropyl)-5-(2-methyl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 415.56 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(2-methylpropyl)-5-(2-methyl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26146434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).