5-fluoro-N-[4-methyl-3-(5-morpholin-4-yl-6-prop-1-ynyl-3-pyridinyl)phenyl]-2-propan-2-ylpyridine-4-carboxamide

C28H29FN4O2 — CID 163255646

IUPAC5-fluoro-N-[4-methyl-3-(5-morpholin-4-yl-6-prop-1-ynyl-3-pyridinyl)phenyl]-2-propan-2-ylpyridine-4-carboxamide
SMILESCC#Cc1ncc(-c2cc(NC(=O)c3cc(C(C)C)ncc3F)ccc2C)cc1N1CCOCC1
InChIInChI=1S/C28H29FN4O2/c1-5-6-25-27(33-9-11-35-12-10-33)13-20(16-30-25)22-14-21(8-7-19(22)4)32-28(34)23-15-26(18(2)3)31-17-24(23)29/h7-8,13-18H,9-12H2,1-4H3,(H,32,34)
InChIKeyKKHFEPXKYSICTI-UHFFFAOYSA-N
MW472.56 g/mol
LogP5.17
Rot. Bonds5

About 5-fluoro-N-[4-methyl-3-(5-morpholin-4-yl-6-prop-1-ynyl-3-pyridinyl)phenyl]-2-propan-2-ylpyridine-4-carboxamide

5-fluoro-N-[4-methyl-3-(5-morpholin-4-yl-6-prop-1-ynyl-3-pyridinyl)phenyl]-2-propan-2-ylpyridine-4-carboxamide (PubChem CID 163255646) has the molecular formula C28H29FN4O2 and a molecular weight of 472.56 g/mol. Its IUPAC name is 5-fluoro-N-[4-methyl-3-(5-morpholin-4-yl-6-prop-1-ynyl-3-pyridinyl)phenyl]-2-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[4-methyl-3-(5-morpholin-4-yl-6-prop-1-ynyl-3-pyridinyl)phenyl]-2-propan-2-ylpyridine-4-carboxamide
PubChem CID163255646
Molecular FormulaC28H29FN4O2
Molecular Weight472.56 g/mol
Exact Mass472.23
IUPAC Name5-fluoro-N-[4-methyl-3-(5-morpholin-4-yl-6-prop-1-ynyl-3-pyridinyl)phenyl]-2-propan-2-ylpyridine-4-carboxamide
SMILESCC#Cc1ncc(-c2cc(NC(=O)c3cc(C(C)C)ncc3F)ccc2C)cc1N1CCOCC1
InChIInChI=1S/C28H29FN4O2/c1-5-6-25-27(33-9-11-35-12-10-33)13-20(16-30-25)22-14-21(8-7-19(22)4)32-28(34)23-15-26(18(2)3)31-17-24(23)29/h7-8,13-18H,9-12H2,1-4H3,(H,32,34)
InChIKeyKKHFEPXKYSICTI-UHFFFAOYSA-N
XLogP5.17
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.56
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-fluoro-N-[4-methyl-3-(5-morpholin-4-yl-6-prop-1-ynyl-3-pyridinyl)phenyl]-2-propan-2-ylpyridine-4-carboxamide 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 5-fluoro-N-[4-methyl-3-(5-morpholin-4-yl-6-prop-1-ynyl-3-pyridinyl)phenyl]-2-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of 5-fluoro-N-[4-methyl-3-(5-morpholin-4-yl-6-prop-1-ynyl-3-pyridinyl)phenyl]-2-propan-2-ylpyridine-4-carboxamide (CID 163255646) is 5-fluoro-N-[4-methyl-3-(5-morpholin-4-yl-6-prop-1-ynyl-3-pyridinyl)phenyl]-2-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 5-fluoro-N-[4-methyl-3-(5-morpholin-4-yl-6-prop-1-ynyl-3-pyridinyl)phenyl]-2-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 5-fluoro-N-[4-methyl-3-(5-morpholin-4-yl-6-prop-1-ynyl-3-pyridinyl)phenyl]-2-propan-2-ylpyridine-4-carboxamide is CC#Cc1ncc(-c2cc(NC(=O)c3cc(C(C)C)ncc3F)ccc2C)cc1N1CCOCC1.
What is the InChIKey of 5-fluoro-N-[4-methyl-3-(5-morpholin-4-yl-6-prop-1-ynyl-3-pyridinyl)phenyl]-2-propan-2-ylpyridine-4-carboxamide?
The InChIKey is KKHFEPXKYSICTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN4O2/c1-5-6-25-27(33-9-11-35-12-10-33)13-20(16-30-25)22-14-21(8-7-19(22)4)32-28(34)23-15-26(18(2)3)31-17-24(23)29/h7-8,13-18H,9-12H2,1-4H3,(H,32,34).
What are the key properties of 5-fluoro-N-[4-methyl-3-(5-morpholin-4-yl-6-prop-1-ynyl-3-pyridinyl)phenyl]-2-propan-2-ylpyridine-4-carboxamide?
5-fluoro-N-[4-methyl-3-(5-morpholin-4-yl-6-prop-1-ynyl-3-pyridinyl)phenyl]-2-propan-2-ylpyridine-4-carboxamide has a molecular weight of 472.56 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[4-methyl-3-(5-morpholin-4-yl-6-prop-1-ynyl-3-pyridinyl)phenyl]-2-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 163255646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).