1-(cyclopropylmethyl)-5-[3-(5-methylfuran-2-yl)butyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C24H31N5O2S — CID 45164190

IUPAC1-(cyclopropylmethyl)-5-[3-(5-methylfuran-2-yl)butyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1ccc(C(C)CCN2CCc3c(c(C(=O)NCc4nccs4)nn3CC3CC3)C2)o1
InChIInChI=1S/C24H31N5O2S/c1-16(21-6-3-17(2)31-21)7-10-28-11-8-20-19(15-28)23(27-29(20)14-18-4-5-18)24(30)26-13-22-25-9-12-32-22/h3,6,9,12,16,18H,4-5,7-8,10-11,13-15H2,1-2H3,(H,26,30)
InChIKeyKIFUESJZGCNLBY-UHFFFAOYSA-N
MW453.61 g/mol
LogP4.13
Rot. Bonds9

About 1-(cyclopropylmethyl)-5-[3-(5-methylfuran-2-yl)butyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

1-(cyclopropylmethyl)-5-[3-(5-methylfuran-2-yl)butyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 45164190) has the molecular formula C24H31N5O2S and a molecular weight of 453.61 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-[3-(5-methylfuran-2-yl)butyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-[3-(5-methylfuran-2-yl)butyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID45164190
Molecular FormulaC24H31N5O2S
Molecular Weight453.61 g/mol
Exact Mass453.22
IUPAC Name1-(cyclopropylmethyl)-5-[3-(5-methylfuran-2-yl)butyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1ccc(C(C)CCN2CCc3c(c(C(=O)NCc4nccs4)nn3CC3CC3)C2)o1
InChIInChI=1S/C24H31N5O2S/c1-16(21-6-3-17(2)31-21)7-10-28-11-8-20-19(15-28)23(27-29(20)14-18-4-5-18)24(30)26-13-22-25-9-12-32-22/h3,6,9,12,16,18H,4-5,7-8,10-11,13-15H2,1-2H3,(H,26,30)
InChIKeyKIFUESJZGCNLBY-UHFFFAOYSA-N
XLogP4.13
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3R,5S)-1-(1-benzofuran-3-carbonyl)-5-(1,3-thiazol-2-ylmethylcarbamoyl)pyrrolidin-3-yl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 76321797
1-benzyl-5-[3-(5-methyl-2-furyl)butyl]-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 45163752
[(1R,5S)-6-[[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]methanone
CID 170323423
[6-[[4-(2-Aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]methanone
CID 170521198
3-[(1-Ethylpyrazole-3-carbonyl)amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19262355
6-(Difluoromethyl)-3-[(1-ethylpyrazole-3-carbonyl)amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19262400
4-(Furan-2-yl)-3-[(1-methylpyrazole-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19262626
6-(Difluoromethyl)-4-(furan-2-yl)-3-[(1-methylpyrazole-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19262675
1-(cyclopropylmethyl)-5-(3-fluoro-4-methoxybenzoyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26138393
N-{[3-(1-benzofuran-2-yl)-1-benzyl-1H-pyrazol-4-yl]methyl}-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
CID 45211411
3-(3-methoxyphenyl)-1-methyl-N-((2-(thiophen-2-yl)pyridin-4-yl)methyl)-1H-pyrazole-5-carboxamide
CID 91630369
2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 57675526

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-[3-(5-methylfuran-2-yl)butyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-5-[3-(5-methylfuran-2-yl)butyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 45164190) is 1-(cyclopropylmethyl)-5-[3-(5-methylfuran-2-yl)butyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-[3-(5-methylfuran-2-yl)butyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-5-[3-(5-methylfuran-2-yl)butyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cc1ccc(C(C)CCN2CCc3c(c(C(=O)NCc4nccs4)nn3CC3CC3)C2)o1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-[3-(5-methylfuran-2-yl)butyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is KIFUESJZGCNLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2S/c1-16(21-6-3-17(2)31-21)7-10-28-11-8-20-19(15-28)23(27-29(20)14-18-4-5-18)24(30)26-13-22-25-9-12-32-22/h3,6,9,12,16,18H,4-5,7-8,10-11,13-15H2,1-2H3,(H,26,30).
What are the key properties of 1-(cyclopropylmethyl)-5-[3-(5-methylfuran-2-yl)butyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
1-(cyclopropylmethyl)-5-[3-(5-methylfuran-2-yl)butyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 453.61 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-[3-(5-methylfuran-2-yl)butyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 45164190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).