1-[(4-fluorophenyl)methyl]-5,7-dimethyl-N-(1-prop-2-enoylpiperidin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide

C24H30FN5O2 — CID 142326395

IUPAC1-[(4-fluorophenyl)methyl]-5,7-dimethyl-N-(1-prop-2-enoylpiperidin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
SMILESC=CC(=O)N1CCCC(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C)CC3C)C1
InChIInChI=1S/C24H30FN5O2/c1-4-21(31)29-11-5-6-19(14-29)26-24(32)22-20-15-28(3)12-16(2)23(20)30(27-22)13-17-7-9-18(25)10-8-17/h4,7-10,16,19H,1,5-6,11-15H2,2-3H3,(H,26,32)
InChIKeyCAJPYKOEEMJOJC-UHFFFAOYSA-N
MW439.54 g/mol
LogP2.53
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-5,7-dimethyl-N-(1-prop-2-enoylpiperidin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide

1-[(4-fluorophenyl)methyl]-5,7-dimethyl-N-(1-prop-2-enoylpiperidin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 142326395) has the molecular formula C24H30FN5O2 and a molecular weight of 439.54 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5,7-dimethyl-N-(1-prop-2-enoylpiperidin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5,7-dimethyl-N-(1-prop-2-enoylpiperidin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
PubChem CID142326395
Molecular FormulaC24H30FN5O2
Molecular Weight439.54 g/mol
Exact Mass439.24
IUPAC Name1-[(4-fluorophenyl)methyl]-5,7-dimethyl-N-(1-prop-2-enoylpiperidin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
SMILESC=CC(=O)N1CCCC(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C)CC3C)C1
InChIInChI=1S/C24H30FN5O2/c1-4-21(31)29-11-5-6-19(14-29)26-24(32)22-20-15-28(3)12-16(2)23(20)30(27-22)13-17-7-9-18(25)10-8-17/h4,7-10,16,19H,1,5-6,11-15H2,2-3H3,(H,26,32)
InChIKeyCAJPYKOEEMJOJC-UHFFFAOYSA-N
XLogP2.53
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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AB-Chminaca
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Granisetron (JAN/USAN/INN)
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N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
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5-Fluoro-AB-pinaca, (A+-)-
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1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indazole-3-carboxamide
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Granisetron hydrochloride (JAN/USP)
CID 6918003
Brl 43694A
CID 65264
Adb-chminaca
CID 68894304

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-5,7-dimethyl-N-(1-prop-2-enoylpiperidin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5,7-dimethyl-N-(1-prop-2-enoylpiperidin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide (CID 142326395) is 1-[(4-fluorophenyl)methyl]-5,7-dimethyl-N-(1-prop-2-enoylpiperidin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5,7-dimethyl-N-(1-prop-2-enoylpiperidin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5,7-dimethyl-N-(1-prop-2-enoylpiperidin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide is C=CC(=O)N1CCCC(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C)CC3C)C1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5,7-dimethyl-N-(1-prop-2-enoylpiperidin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?
The InChIKey is CAJPYKOEEMJOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O2/c1-4-21(31)29-11-5-6-19(14-29)26-24(32)22-20-15-28(3)12-16(2)23(20)30(27-22)13-17-7-9-18(25)10-8-17/h4,7-10,16,19H,1,5-6,11-15H2,2-3H3,(H,26,32).
What are the key properties of 1-[(4-fluorophenyl)methyl]-5,7-dimethyl-N-(1-prop-2-enoylpiperidin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?
1-[(4-fluorophenyl)methyl]-5,7-dimethyl-N-(1-prop-2-enoylpiperidin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-5,7-dimethyl-N-(1-prop-2-enoylpiperidin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 142326395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).