1-(3-chlorophenyl)-N-(cyclopropylmethyl)-7-oxo-6-[3-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C28H30ClN5O2 — CID 171523008

IUPAC1-(3-chlorophenyl)-N-(cyclopropylmethyl)-7-oxo-6-[3-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESO=C(NCC1CC1)c1nn(-c2cccc(Cl)c2)c2c1CCN(c1cccc(CN3CCCC3)c1)C2=O
InChIInChI=1S/C28H30ClN5O2/c29-21-6-4-8-23(16-21)34-26-24(25(31-34)27(35)30-17-19-9-10-19)11-14-33(28(26)36)22-7-3-5-20(15-22)18-32-12-1-2-13-32/h3-8,15-16,19H,1-2,9-14,17-18H2,(H,30,35)
InChIKeyYJVFNGAKMCBATJ-UHFFFAOYSA-N
MW504.03 g/mol
LogP4.46
Rot. Bonds7

About 1-(3-chlorophenyl)-N-(cyclopropylmethyl)-7-oxo-6-[3-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

1-(3-chlorophenyl)-N-(cyclopropylmethyl)-7-oxo-6-[3-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 171523008) has the molecular formula C28H30ClN5O2 and a molecular weight of 504.03 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(cyclopropylmethyl)-7-oxo-6-[3-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(cyclopropylmethyl)-7-oxo-6-[3-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID171523008
Molecular FormulaC28H30ClN5O2
Molecular Weight504.03 g/mol
Exact Mass503.21
IUPAC Name1-(3-chlorophenyl)-N-(cyclopropylmethyl)-7-oxo-6-[3-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESO=C(NCC1CC1)c1nn(-c2cccc(Cl)c2)c2c1CCN(c1cccc(CN3CCCC3)c1)C2=O
InChIInChI=1S/C28H30ClN5O2/c29-21-6-4-8-23(16-21)34-26-24(25(31-34)27(35)30-17-19-9-10-19)11-14-33(28(26)36)22-7-3-5-20(15-22)18-32-12-1-2-13-32/h3-8,15-16,19H,1-2,9-14,17-18H2,(H,30,35)
InChIKeyYJVFNGAKMCBATJ-UHFFFAOYSA-N
XLogP4.46
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.03
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
ethyl 1-(3-chlorophenyl)-6-[3-(dimethylcarbamoyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 171523128
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
N-[(1-benzylpiperidin-4-yl)methyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 99841245
4-benzyl-N-(cyclopropylmethyl)-2-(3-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 42835967
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
(3-chlorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724741
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 43917657
2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(cyclohexylmethyl)acetamide
CID 87049900
N-[[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]thiophene-3-carboxamide
CID 95204634
N-[[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-ethyl-8-oxo-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5-triene-4-carboxamide;hydrochloride
CID 146060404
1-[(3-chlorophenyl)methyl]pyrrolidine;ethane;methanol
CID 145435843

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(cyclopropylmethyl)-7-oxo-6-[3-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(cyclopropylmethyl)-7-oxo-6-[3-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 171523008) is 1-(3-chlorophenyl)-N-(cyclopropylmethyl)-7-oxo-6-[3-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(cyclopropylmethyl)-7-oxo-6-[3-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(cyclopropylmethyl)-7-oxo-6-[3-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is O=C(NCC1CC1)c1nn(-c2cccc(Cl)c2)c2c1CCN(c1cccc(CN3CCCC3)c1)C2=O.
What is the InChIKey of 1-(3-chlorophenyl)-N-(cyclopropylmethyl)-7-oxo-6-[3-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is YJVFNGAKMCBATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN5O2/c29-21-6-4-8-23(16-21)34-26-24(25(31-34)27(35)30-17-19-9-10-19)11-14-33(28(26)36)22-7-3-5-20(15-22)18-32-12-1-2-13-32/h3-8,15-16,19H,1-2,9-14,17-18H2,(H,30,35).
What are the key properties of 1-(3-chlorophenyl)-N-(cyclopropylmethyl)-7-oxo-6-[3-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
1-(3-chlorophenyl)-N-(cyclopropylmethyl)-7-oxo-6-[3-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 504.03 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 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-[3-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 171523008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).