1-(4-chlorophenyl)-5-[(furan-2-ylmethylamino)methyl]-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one

C19H17ClN4O2 — CID 135880358

IUPAC1-(4-chlorophenyl)-5-[(furan-2-ylmethylamino)methyl]-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNCc3ccco3)cc12
InChIInChI=1S/C19H17ClN4O2/c1-12-17-9-13(10-21-11-16-3-2-8-26-16)19(25)22-18(17)24(23-12)15-6-4-14(20)5-7-15/h2-9,21H,10-11H2,1H3,(H,22,25)
InChIKeyFXOPXVXVTUSHBD-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.56
Rot. Bonds5

About 1-(4-chlorophenyl)-5-[(furan-2-ylmethylamino)methyl]-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one

1-(4-chlorophenyl)-5-[(furan-2-ylmethylamino)methyl]-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135880358) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-[(furan-2-ylmethylamino)methyl]-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-[(furan-2-ylmethylamino)methyl]-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135880358
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name1-(4-chlorophenyl)-5-[(furan-2-ylmethylamino)methyl]-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNCc3ccco3)cc12
InChIInChI=1S/C19H17ClN4O2/c1-12-17-9-13(10-21-11-16-3-2-8-26-16)19(25)22-18(17)24(23-12)15-6-4-14(20)5-7-15/h2-9,21H,10-11H2,1H3,(H,22,25)
InChIKeyFXOPXVXVTUSHBD-UHFFFAOYSA-N
XLogP3.56
TPSA75.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-furylmethyl)-5-[(4-methylbenzoyl)amino]-1-phenyl-1H-pyrazole-4-carboxamide
CID 1037536
3-[2-(4-chlorophenyl)-5,7-dimethyl-6-pyrazolo[1,5-a]pyrimidinyl]-N-(2-furanylmethyl)propanamide
CID 9550743
1-(4-Chlorophenyl)-6-(furan-2-YL)-5-(3-methoxyphenyl)-1H,4H,5H-pyrazolo[3,4-D]pyrimidin-4-one
CID 15990617
N-(3-tert-butyl-1-phenylpyrazol-5-yl)furan-2-carboxamide
CID 2473696
5-amino-N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]pentanamide
CID 10577289
3-Amino-N-(9-chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-propionamide
CID 10766773
1-(4-chlorophenyl)-6-(2-furyl)-5-(4-methoxyphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 15990633
N-(2-(3-(3-tert-butyl-5-(3-phenylureido)-1H-pyrazol-1-yl)benzylamino)-2-oxoethyl)furan-2-carboxamide
CID 49862398
3-tert-Butyl-5-{[(furan-2-ylmethyl)-amino]-methyl}-1-phenyl-1,7-dihydro-pyrazolo[3,4-b]pyridin-6-one
CID 135450638
N-[1-(2-chlorophenyl)-4-(4-morpholinylcarbonyl)-1H-pyrazol-5-yl]-2-furamide
CID 2958516
3-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-6-[(E)-2-(furan-2-yl)ethenyl]-4H-1,2,4-triazin-5-one
CID 135968229
5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2884384

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-[(furan-2-ylmethylamino)methyl]-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-(4-chlorophenyl)-5-[(furan-2-ylmethylamino)methyl]-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135880358) is 1-(4-chlorophenyl)-5-[(furan-2-ylmethylamino)methyl]-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-(4-chlorophenyl)-5-[(furan-2-ylmethylamino)methyl]-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-(4-chlorophenyl)-5-[(furan-2-ylmethylamino)methyl]-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNCc3ccco3)cc12.
What is the InChIKey of 1-(4-chlorophenyl)-5-[(furan-2-ylmethylamino)methyl]-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is FXOPXVXVTUSHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-12-17-9-13(10-21-11-16-3-2-8-26-16)19(25)22-18(17)24(23-12)15-6-4-14(20)5-7-15/h2-9,21H,10-11H2,1H3,(H,22,25).
What are the key properties of 1-(4-chlorophenyl)-5-[(furan-2-ylmethylamino)methyl]-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
1-(4-chlorophenyl)-5-[(furan-2-ylmethylamino)methyl]-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 368.82 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-[(furan-2-ylmethylamino)methyl]-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135880358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).