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

C26H29FN4O — CID 46074295

IUPACN-(cyclopropylmethyl)-N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-4-fluorobenzamide
SMILESCCN1CCc2c(c(CN(CC3CC3)C(=O)c3ccc(F)cc3)nn2-c2ccccc2)C1
InChIInChI=1S/C26H29FN4O/c1-2-29-15-14-25-23(17-29)24(28-31(25)22-6-4-3-5-7-22)18-30(16-19-8-9-19)26(32)20-10-12-21(27)13-11-20/h3-7,10-13,19H,2,8-9,14-18H2,1H3
InChIKeyYSMLEBLEMJICSL-UHFFFAOYSA-N
MW432.54 g/mol
LogP4.44
Rot. Bonds7

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

N-(cyclopropylmethyl)-N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-4-fluorobenzamide (PubChem CID 46074295) has the molecular formula C26H29FN4O and a molecular weight of 432.54 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-4-fluorobenzamide
PubChem CID46074295
Molecular FormulaC26H29FN4O
Molecular Weight432.54 g/mol
Exact Mass432.23
IUPAC NameN-(cyclopropylmethyl)-N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-4-fluorobenzamide
SMILESCCN1CCc2c(c(CN(CC3CC3)C(=O)c3ccc(F)cc3)nn2-c2ccccc2)C1
InChIInChI=1S/C26H29FN4O/c1-2-29-15-14-25-23(17-29)24(28-31(25)22-6-4-3-5-7-22)18-30(16-19-8-9-19)26(32)20-10-12-21(27)13-11-20/h3-7,10-13,19H,2,8-9,14-18H2,1H3
InChIKeyYSMLEBLEMJICSL-UHFFFAOYSA-N
XLogP4.44
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-2-methoxybenzamide
CID 46074300
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-(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-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 46074337
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
N-[(5-benzyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-N-ethylacetamide
CID 42808543
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-ethyl-N-[[1-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-methoxyacetamide
CID 42801915
N-[[5-ethyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methoxyethyl)-2-phenylbutanamide
CID 42871681
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-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-[[5-benzyl-1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(cyclopropylmethyl)-2,2-dimethylpropanamide
CID 42872669

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-4-fluorobenzamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-4-fluorobenzamide (CID 46074295) is N-(cyclopropylmethyl)-N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-4-fluorobenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-4-fluorobenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-4-fluorobenzamide is CCN1CCc2c(c(CN(CC3CC3)C(=O)c3ccc(F)cc3)nn2-c2ccccc2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-4-fluorobenzamide?
The InChIKey is YSMLEBLEMJICSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O/c1-2-29-15-14-25-23(17-29)24(28-31(25)22-6-4-3-5-7-22)18-30(16-19-8-9-19)26(32)20-10-12-21(27)13-11-20/h3-7,10-13,19H,2,8-9,14-18H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-4-fluorobenzamide?
N-(cyclopropylmethyl)-N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-4-fluorobenzamide has a molecular weight of 432.54 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-4-fluorobenzamide is sourced from PubChem (CID 46074295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).