N-[[5-[(3-chlorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)cyclopropanecarboxamide

C28H33ClN4O — CID 42801989

IUPACN-[[5-[(3-chlorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)cyclopropanecarboxamide
SMILESCC(C)CN(Cc1nn(-c2ccccc2)c2c1CN(Cc1cccc(Cl)c1)CC2)C(=O)C1CC1
InChIInChI=1S/C28H33ClN4O/c1-20(2)16-32(28(34)22-11-12-22)19-26-25-18-31(17-21-7-6-8-23(29)15-21)14-13-27(25)33(30-26)24-9-4-3-5-10-24/h3-10,15,20,22H,11-14,16-19H2,1-2H3
InChIKeyYOJPQXUSFHRBIC-UHFFFAOYSA-N
MW477.05 g/mol
LogP5.48
Rot. Bonds8

About N-[[5-[(3-chlorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)cyclopropanecarboxamide

N-[[5-[(3-chlorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)cyclopropanecarboxamide (PubChem CID 42801989) has the molecular formula C28H33ClN4O and a molecular weight of 477.05 g/mol. Its IUPAC name is N-[[5-[(3-chlorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[5-[(3-chlorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)cyclopropanecarboxamide
PubChem CID42801989
Molecular FormulaC28H33ClN4O
Molecular Weight477.05 g/mol
Exact Mass476.23
IUPAC NameN-[[5-[(3-chlorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)cyclopropanecarboxamide
SMILESCC(C)CN(Cc1nn(-c2ccccc2)c2c1CN(Cc1cccc(Cl)c1)CC2)C(=O)C1CC1
InChIInChI=1S/C28H33ClN4O/c1-20(2)16-32(28(34)22-11-12-22)19-26-25-18-31(17-21-7-6-8-23(29)15-21)14-13-27(25)33(30-26)24-9-4-3-5-10-24/h3-10,15,20,22H,11-14,16-19H2,1-2H3
InChIKeyYOJPQXUSFHRBIC-UHFFFAOYSA-N
XLogP5.48
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.05
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 46074337
N-[(5-benzyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-N-ethylacetamide
CID 42808543
N-[[1-(3-chlorophenyl)-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide
CID 42871544
N-[[1-(4-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide
CID 42871530
N-[[5-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-methylpropane-2-sulfonamide
CID 42806439
N-[[5-benzyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 42872664
N-(cyclopropylmethyl)-N-[[5-[(2-fluorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]cyclopropanecarboxamide
CID 42801982
N-[[5-[(4-fluorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)methanesulfonamide
CID 42872679
N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide
CID 46074332
1-[[5-[(4-fluorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl-(2-methylpropyl)amino]-3-methylbutan-2-ol
CID 42801955
N-[[1-(3-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-cyclopropyl-2-methylpropanamide
CID 42806556
3-chloro-N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzamide
CID 42871624

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3-chlorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)cyclopropanecarboxamide?
The IUPAC name of N-[[5-[(3-chlorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)cyclopropanecarboxamide (CID 42801989) is N-[[5-[(3-chlorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)cyclopropanecarboxamide.
What is the SMILES notation for N-[[5-[(3-chlorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)cyclopropanecarboxamide?
The canonical SMILES for N-[[5-[(3-chlorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)cyclopropanecarboxamide is CC(C)CN(Cc1nn(-c2ccccc2)c2c1CN(Cc1cccc(Cl)c1)CC2)C(=O)C1CC1.
What is the InChIKey of N-[[5-[(3-chlorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)cyclopropanecarboxamide?
The InChIKey is YOJPQXUSFHRBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33ClN4O/c1-20(2)16-32(28(34)22-11-12-22)19-26-25-18-31(17-21-7-6-8-23(29)15-21)14-13-27(25)33(30-26)24-9-4-3-5-10-24/h3-10,15,20,22H,11-14,16-19H2,1-2H3.
What are the key properties of N-[[5-[(3-chlorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)cyclopropanecarboxamide?
N-[[5-[(3-chlorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)cyclopropanecarboxamide has a molecular weight of 477.05 g/mol, XLogP of 5.48, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3-chlorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)cyclopropanecarboxamide is sourced from PubChem (CID 42801989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).