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

C28H31FN4O — CID 42801982

IUPACN-(cyclopropylmethyl)-N-[[5-[(2-fluorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]cyclopropanecarboxamide
SMILESO=C(C1CC1)N(Cc1nn(-c2ccccc2)c2c1CN(Cc1ccccc1F)CC2)CC1CC1
InChIInChI=1S/C28H31FN4O/c29-25-9-5-4-6-22(25)17-31-15-14-27-24(18-31)26(30-33(27)23-7-2-1-3-8-23)19-32(16-20-10-11-20)28(34)21-12-13-21/h1-9,20-21H,10-19H2
InChIKeyQTXUQKBYRAMBBK-UHFFFAOYSA-N
MW458.58 g/mol
LogP4.72
Rot. Bonds8

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

N-(cyclopropylmethyl)-N-[[5-[(2-fluorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]cyclopropanecarboxamide (PubChem CID 42801982) has the molecular formula C28H31FN4O and a molecular weight of 458.58 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[5-[(2-fluorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[5-[(2-fluorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]cyclopropanecarboxamide
PubChem CID42801982
Molecular FormulaC28H31FN4O
Molecular Weight458.58 g/mol
Exact Mass458.25
IUPAC NameN-(cyclopropylmethyl)-N-[[5-[(2-fluorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]cyclopropanecarboxamide
SMILESO=C(C1CC1)N(Cc1nn(-c2ccccc2)c2c1CN(Cc1ccccc1F)CC2)CC1CC1
InChIInChI=1S/C28H31FN4O/c29-25-9-5-4-6-22(25)17-31-15-14-27-24(18-31)26(30-33(27)23-7-2-1-3-8-23)19-32(16-20-10-11-20)28(34)21-12-13-21/h1-9,20-21H,10-19H2
InChIKeyQTXUQKBYRAMBBK-UHFFFAOYSA-N
XLogP4.72
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-N-[[5-[(2-fluorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]methanesulfonamide
CID 42807700
N-(cyclopropylmethyl)-N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-4-fluorobenzamide
CID 46074295
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-[(3-chlorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 42801989
N-(cyclopropylmethyl)-N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-2-methoxybenzamide
CID 46074300
N-[[5-benzyl-1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(cyclopropylmethyl)-2,2-dimethylpropanamide
CID 42872669
N-[(5-benzyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-N-ethylacetamide
CID 42808543
N-(cyclopropylmethyl)-4-fluoro-N-[[1-(2-fluorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]benzamide
CID 42871559
N-ethyl-N-[[1-(3-fluorophenyl)-5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-3-nitrobenzamide
CID 42806443
N-ethyl-2,6-difluoro-N-[[5-[(4-methoxyphenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]benzamide
CID 46074420
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
1-[[1-(4-chlorophenyl)-5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl-ethylamino]pentan-2-ol
CID 42872684

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[[5-[(2-fluorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[[5-[(2-fluorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]cyclopropanecarboxamide (CID 42801982) is N-(cyclopropylmethyl)-N-[[5-[(2-fluorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[[5-[(2-fluorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[5-[(2-fluorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]cyclopropanecarboxamide is O=C(C1CC1)N(Cc1nn(-c2ccccc2)c2c1CN(Cc1ccccc1F)CC2)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[5-[(2-fluorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]cyclopropanecarboxamide?
The InChIKey is QTXUQKBYRAMBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN4O/c29-25-9-5-4-6-22(25)17-31-15-14-27-24(18-31)26(30-33(27)23-7-2-1-3-8-23)19-32(16-20-10-11-20)28(34)21-12-13-21/h1-9,20-21H,10-19H2.
What are the key properties of N-(cyclopropylmethyl)-N-[[5-[(2-fluorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]cyclopropanecarboxamide?
N-(cyclopropylmethyl)-N-[[5-[(2-fluorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]cyclopropanecarboxamide has a molecular weight of 458.58 g/mol, XLogP of 4.72, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[[5-[(2-fluorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 42801982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).