5-(4-fluoro-3-methylphenyl)-N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-methylpyrazole-3-carboxamide

C22H22FN5O — CID 110309728

IUPAC5-(4-fluoro-3-methylphenyl)-N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-methylpyrazole-3-carboxamide
SMILESCc1cc(-c2cc(C(=O)NCCCc3ncc4ccccn34)nn2C)ccc1F
InChIInChI=1S/C22H22FN5O/c1-15-12-16(8-9-18(15)23)20-13-19(26-27(20)2)22(29)24-10-5-7-21-25-14-17-6-3-4-11-28(17)21/h3-4,6,8-9,11-14H,5,7,10H2,1-2H3,(H,24,29)
InChIKeySDQDARJKGSEYBH-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.54
Rot. Bonds6

About 5-(4-fluoro-3-methylphenyl)-N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-methylpyrazole-3-carboxamide

5-(4-fluoro-3-methylphenyl)-N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-methylpyrazole-3-carboxamide (PubChem CID 110309728) has the molecular formula C22H22FN5O and a molecular weight of 391.45 g/mol. Its IUPAC name is 5-(4-fluoro-3-methylphenyl)-N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluoro-3-methylphenyl)-N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-methylpyrazole-3-carboxamide
PubChem CID110309728
Molecular FormulaC22H22FN5O
Molecular Weight391.45 g/mol
Exact Mass391.18
IUPAC Name5-(4-fluoro-3-methylphenyl)-N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-methylpyrazole-3-carboxamide
SMILESCc1cc(-c2cc(C(=O)NCCCc3ncc4ccccn34)nn2C)ccc1F
InChIInChI=1S/C22H22FN5O/c1-15-12-16(8-9-18(15)23)20-13-19(26-27(20)2)22(29)24-10-5-7-21-25-14-17-6-3-4-11-28(17)21/h3-4,6,8-9,11-14H,5,7,10H2,1-2H3,(H,24,29)
InChIKeySDQDARJKGSEYBH-UHFFFAOYSA-N
XLogP3.54
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methylphenyl)-N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(4-fluoro-3-methylphenyl)-N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-methylpyrazole-3-carboxamide (CID 110309728) is 5-(4-fluoro-3-methylphenyl)-N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluoro-3-methylphenyl)-N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(4-fluoro-3-methylphenyl)-N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-methylpyrazole-3-carboxamide is Cc1cc(-c2cc(C(=O)NCCCc3ncc4ccccn34)nn2C)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methylphenyl)-N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is SDQDARJKGSEYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O/c1-15-12-16(8-9-18(15)23)20-13-19(26-27(20)2)22(29)24-10-5-7-21-25-14-17-6-3-4-11-28(17)21/h3-4,6,8-9,11-14H,5,7,10H2,1-2H3,(H,24,29).
What are the key properties of 5-(4-fluoro-3-methylphenyl)-N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-methylpyrazole-3-carboxamide?
5-(4-fluoro-3-methylphenyl)-N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methylphenyl)-N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110309728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).