N-[[5-ethyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methoxyethyl)-2-phenylbutanamide

C28H35FN4O2 — CID 42871681

IUPACN-[[5-ethyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methoxyethyl)-2-phenylbutanamide
SMILESCCC(C(=O)N(CCOC)Cc1nn(-c2cccc(F)c2)c2c1CN(CC)CC2)c1ccccc1
InChIInChI=1S/C28H35FN4O2/c1-4-24(21-10-7-6-8-11-21)28(34)32(16-17-35-3)20-26-25-19-31(5-2)15-14-27(25)33(30-26)23-13-9-12-22(29)18-23/h6-13,18,24H,4-5,14-17,19-20H2,1-3H3
InChIKeyQSMSWXZYQWTCQC-UHFFFAOYSA-N
MW478.61 g/mol
LogP4.56
Rot. Bonds10

About N-[[5-ethyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methoxyethyl)-2-phenylbutanamide

N-[[5-ethyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methoxyethyl)-2-phenylbutanamide (PubChem CID 42871681) has the molecular formula C28H35FN4O2 and a molecular weight of 478.61 g/mol. Its IUPAC name is N-[[5-ethyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methoxyethyl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-[[5-ethyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methoxyethyl)-2-phenylbutanamide
PubChem CID42871681
Molecular FormulaC28H35FN4O2
Molecular Weight478.61 g/mol
Exact Mass478.27
IUPAC NameN-[[5-ethyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methoxyethyl)-2-phenylbutanamide
SMILESCCC(C(=O)N(CCOC)Cc1nn(-c2cccc(F)c2)c2c1CN(CC)CC2)c1ccccc1
InChIInChI=1S/C28H35FN4O2/c1-4-24(21-10-7-6-8-11-21)28(34)32(16-17-35-3)20-26-25-19-31(5-2)15-14-27(25)33(30-26)23-13-9-12-22(29)18-23/h6-13,18,24H,4-5,14-17,19-20H2,1-3H3
InChIKeyQSMSWXZYQWTCQC-UHFFFAOYSA-N
XLogP4.56
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.61
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[5-ethyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methoxyethyl)-2-phenylbutanamide with MolForge

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Related Compounds

(2S)-N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)-2-phenylbutanamide
CID 93002198
N-[[1-(3-fluorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-3,5-dimethoxy-N-methylbenzamide
CID 42806590
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]-4-methoxy-N-(2-methylpropyl)benzamide
CID 46074332
1-cyclopropyl-1-[[1-(3-fluorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-3-prop-2-enylurea
CID 42806494
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-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]cyclopropanamine
CID 42806472
N-(cyclopropylmethyl)-N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-2-methoxybenzamide
CID 46074300
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-[[5-benzyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-cyclopropyl-2-(4-methoxyphenyl)acetamide
CID 42871700
N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-3-fluoro-N-(2-methoxyethyl)benzamide
CID 42877042
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

Frequently Asked Questions

What is the IUPAC name of N-[[5-ethyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methoxyethyl)-2-phenylbutanamide?
The IUPAC name of 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) is N-[[5-ethyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methoxyethyl)-2-phenylbutanamide.
What is the SMILES notation for N-[[5-ethyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methoxyethyl)-2-phenylbutanamide?
The canonical SMILES for N-[[5-ethyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methoxyethyl)-2-phenylbutanamide is CCC(C(=O)N(CCOC)Cc1nn(-c2cccc(F)c2)c2c1CN(CC)CC2)c1ccccc1.
What is the InChIKey of N-[[5-ethyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methoxyethyl)-2-phenylbutanamide?
The InChIKey is QSMSWXZYQWTCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35FN4O2/c1-4-24(21-10-7-6-8-11-21)28(34)32(16-17-35-3)20-26-25-19-31(5-2)15-14-27(25)33(30-26)23-13-9-12-22(29)18-23/h6-13,18,24H,4-5,14-17,19-20H2,1-3H3.
What are the key properties of N-[[5-ethyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methoxyethyl)-2-phenylbutanamide?
N-[[5-ethyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methoxyethyl)-2-phenylbutanamide has a molecular weight of 478.61 g/mol, XLogP of 4.56, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-ethyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methoxyethyl)-2-phenylbutanamide is sourced from PubChem (CID 42871681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).