Skip to content

2-[5-[(cyclopropylmethylamino)-pyridin-4-ylmethyl]-2-fluorophenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone

C30H31FN4O — CID 157436344

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[5-[(cyclopropylmethylamino)-pyridin-4-ylmethyl]-2-fluorophenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone
SMILESCCc1cccc(-n2nc(C)cc2C(=O)Cc2cc(C(NCC3CC3)c3ccncc3)ccc2F)c1
InChIInChI=1S/C30H31FN4O/c1-3-21-5-4-6-26(16-21)35-28(15-20(2)34-35)29(36)18-25-17-24(9-10-27(25)31)30(33-19-22-7-8-22)23-11-13-32-14-12-23/h4-6,9-17,22,30,33H,3,7-8,18-19H2,1-2H3
InChIKeyMABBHEXAPSFROA-UHFFFAOYSA-N
MW482.60 g/mol
LogP5.79
Rot. Bonds10

About 2-[5-[(cyclopropylmethylamino)-pyridin-4-ylmethyl]-2-fluorophenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone

2-[5-[(cyclopropylmethylamino)-pyridin-4-ylmethyl]-2-fluorophenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone (PubChem CID 157436344) has the molecular formula C30H31FN4O and a molecular weight of 482.60 g/mol. Its IUPAC name is 2-[5-[(cyclopropylmethylamino)-pyridin-4-ylmethyl]-2-fluorophenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone.

Molecular Properties

Compound Name2-[5-[(cyclopropylmethylamino)-pyridin-4-ylmethyl]-2-fluorophenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone
PubChem CID157436344
Molecular FormulaC30H31FN4O
Molecular Weight482.60 g/mol
Exact Mass482.25
IUPAC Name2-[5-[(cyclopropylmethylamino)-pyridin-4-ylmethyl]-2-fluorophenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone
SMILESCCc1cccc(-n2nc(C)cc2C(=O)Cc2cc(C(NCC3CC3)c3ccncc3)ccc2F)c1
InChIInChI=1S/C30H31FN4O/c1-3-21-5-4-6-26(16-21)35-28(15-20(2)34-35)29(36)18-25-17-24(9-10-27(25)31)30(33-19-22-7-8-22)23-11-13-32-14-12-23/h4-6,9-17,22,30,33H,3,7-8,18-19H2,1-2H3
InChIKeyMABBHEXAPSFROA-UHFFFAOYSA-N
XLogP5.79
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.60
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-[(cyclopropylmethylamino)-pyridin-4-ylmethyl]-2-fluorophenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(cyclopropylmethylamino)-pyridin-4-ylmethyl]-2-fluorophenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone?
The IUPAC name of 2-[5-[(cyclopropylmethylamino)-pyridin-4-ylmethyl]-2-fluorophenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone (CID 157436344) is 2-[5-[(cyclopropylmethylamino)-pyridin-4-ylmethyl]-2-fluorophenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone.
What is the SMILES notation for 2-[5-[(cyclopropylmethylamino)-pyridin-4-ylmethyl]-2-fluorophenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone?
The canonical SMILES for 2-[5-[(cyclopropylmethylamino)-pyridin-4-ylmethyl]-2-fluorophenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone is CCc1cccc(-n2nc(C)cc2C(=O)Cc2cc(C(NCC3CC3)c3ccncc3)ccc2F)c1.
What is the InChIKey of 2-[5-[(cyclopropylmethylamino)-pyridin-4-ylmethyl]-2-fluorophenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone?
The InChIKey is MABBHEXAPSFROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN4O/c1-3-21-5-4-6-26(16-21)35-28(15-20(2)34-35)29(36)18-25-17-24(9-10-27(25)31)30(33-19-22-7-8-22)23-11-13-32-14-12-23/h4-6,9-17,22,30,33H,3,7-8,18-19H2,1-2H3.
What are the key properties of 2-[5-[(cyclopropylmethylamino)-pyridin-4-ylmethyl]-2-fluorophenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone?
2-[5-[(cyclopropylmethylamino)-pyridin-4-ylmethyl]-2-fluorophenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone has a molecular weight of 482.60 g/mol, XLogP of 5.79, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(cyclopropylmethylamino)-pyridin-4-ylmethyl]-2-fluorophenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone is sourced from PubChem (CID 157436344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.