1-(3-chlorophenyl)-N-(cyclopropylmethyl)-7-oxo-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C26H26ClN5O2 — CID 171523383

IUPAC1-(3-chlorophenyl)-N-(cyclopropylmethyl)-7-oxo-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESO=C(NCC1CC1)c1nn(-c2cccc(Cl)c2)c2c1CCN(c1ccc3c(c1)CNCC3)C2=O
InChIInChI=1S/C26H26ClN5O2/c27-19-2-1-3-21(13-19)32-24-22(23(30-32)25(33)29-14-16-4-5-16)9-11-31(26(24)34)20-7-6-17-8-10-28-15-18(17)12-20/h1-3,6-7,12-13,16,28H,4-5,8-11,14-15H2,(H,29,33)
InChIKeyFLIWGLVGZNBQRK-UHFFFAOYSA-N
MW475.98 g/mol
LogP3.51
Rot. Bonds5

About 1-(3-chlorophenyl)-N-(cyclopropylmethyl)-7-oxo-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

1-(3-chlorophenyl)-N-(cyclopropylmethyl)-7-oxo-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 171523383) has the molecular formula C26H26ClN5O2 and a molecular weight of 475.98 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(cyclopropylmethyl)-7-oxo-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(cyclopropylmethyl)-7-oxo-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID171523383
Molecular FormulaC26H26ClN5O2
Molecular Weight475.98 g/mol
Exact Mass475.18
IUPAC Name1-(3-chlorophenyl)-N-(cyclopropylmethyl)-7-oxo-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESO=C(NCC1CC1)c1nn(-c2cccc(Cl)c2)c2c1CCN(c1ccc3c(c1)CNCC3)C2=O
InChIInChI=1S/C26H26ClN5O2/c27-19-2-1-3-21(13-19)32-24-22(23(30-32)25(33)29-14-16-4-5-16)9-11-31(26(24)34)20-7-6-17-8-10-28-15-18(17)12-20/h1-3,6-7,12-13,16,28H,4-5,8-11,14-15H2,(H,29,33)
InChIKeyFLIWGLVGZNBQRK-UHFFFAOYSA-N
XLogP3.51
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.98
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-N-(cyclopropylmethyl)-7-oxo-6-[3-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 171523008
1-(3-chlorophenyl)-N-[(4-methyl-3-pyridinyl)methyl]-6-[(4R)-4-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 171523057
ethyl 1-(3-chlorophenyl)-6-[3-(dimethylcarbamoyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 171523128
1-(3-chlorophenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 10161894
ethyl 6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1-(3-chlorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 171523706
1-(3-chlorophenyl)-6-[5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 171523748
7-[1-(3-chlorophenyl)-3-[(3-methyloxetan-3-yl)oxymethyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl]-2-methyl-3,4-dihydroisoquinolin-1-one
CID 171522929
1-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-diazinane-2,4-dione;hydrochloride
CID 168870506
1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperazin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 141435084
1-(3-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride
CID 119461402
1-(3-chlorophenyl)-6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-2,6-naphthyridin-3-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 171523480
ethyl 7-oxo-1,6-diphenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 11566693

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(cyclopropylmethyl)-7-oxo-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(cyclopropylmethyl)-7-oxo-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 171523383) is 1-(3-chlorophenyl)-N-(cyclopropylmethyl)-7-oxo-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(cyclopropylmethyl)-7-oxo-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(cyclopropylmethyl)-7-oxo-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is O=C(NCC1CC1)c1nn(-c2cccc(Cl)c2)c2c1CCN(c1ccc3c(c1)CNCC3)C2=O.
What is the InChIKey of 1-(3-chlorophenyl)-N-(cyclopropylmethyl)-7-oxo-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is FLIWGLVGZNBQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5O2/c27-19-2-1-3-21(13-19)32-24-22(23(30-32)25(33)29-14-16-4-5-16)9-11-31(26(24)34)20-7-6-17-8-10-28-15-18(17)12-20/h1-3,6-7,12-13,16,28H,4-5,8-11,14-15H2,(H,29,33).
What are the key properties of 1-(3-chlorophenyl)-N-(cyclopropylmethyl)-7-oxo-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
1-(3-chlorophenyl)-N-(cyclopropylmethyl)-7-oxo-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 475.98 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(cyclopropylmethyl)-7-oxo-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 171523383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).