5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[1-[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide

C29H28FN9O2 — CID 135256846

IUPAC5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[1-[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide
SMILESCCc1cc(Nc2cc(C)nc(-c3cnc(C(=O)NC(C)c4ccc(-c5ccc(OC)nc5)nc4)c(F)c3)n2)n[nH]1
InChIInChI=1S/C29H28FN9O2/c1-5-21-12-25(39-38-21)36-24-10-16(2)34-28(37-24)20-11-22(30)27(33-15-20)29(40)35-17(3)18-6-8-23(31-13-18)19-7-9-26(41-4)32-14-19/h6-15,17H,5H2,1-4H3,(H,35,40)(H2,34,36,37,38,39)
InChIKeyHKFOVOPQVCBTMR-UHFFFAOYSA-N
MW553.60 g/mol
LogP4.97
Rot. Bonds9

About 5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[1-[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide

5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[1-[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide (PubChem CID 135256846) has the molecular formula C29H28FN9O2 and a molecular weight of 553.60 g/mol. Its IUPAC name is 5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[1-[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[1-[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide
PubChem CID135256846
Molecular FormulaC29H28FN9O2
Molecular Weight553.60 g/mol
Exact Mass553.23
IUPAC Name5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[1-[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide
SMILESCCc1cc(Nc2cc(C)nc(-c3cnc(C(=O)NC(C)c4ccc(-c5ccc(OC)nc5)nc4)c(F)c3)n2)n[nH]1
InChIInChI=1S/C29H28FN9O2/c1-5-21-12-25(39-38-21)36-24-10-16(2)34-28(37-24)20-11-22(30)27(33-15-20)29(40)35-17(3)18-6-8-23(31-13-18)19-7-9-26(41-4)32-14-19/h6-15,17H,5H2,1-4H3,(H,35,40)(H2,34,36,37,38,39)
InChIKeyHKFOVOPQVCBTMR-UHFFFAOYSA-N
XLogP4.97
TPSA143.49 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.60
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[1-[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-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-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[1-[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[1-[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide (CID 135256846) is 5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[1-[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[1-[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[1-[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide is CCc1cc(Nc2cc(C)nc(-c3cnc(C(=O)NC(C)c4ccc(-c5ccc(OC)nc5)nc4)c(F)c3)n2)n[nH]1.
What is the InChIKey of 5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[1-[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide?
The InChIKey is HKFOVOPQVCBTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN9O2/c1-5-21-12-25(39-38-21)36-24-10-16(2)34-28(37-24)20-11-22(30)27(33-15-20)29(40)35-17(3)18-6-8-23(31-13-18)19-7-9-26(41-4)32-14-19/h6-15,17H,5H2,1-4H3,(H,35,40)(H2,34,36,37,38,39).
What are the key properties of 5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[1-[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide?
5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[1-[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide has a molecular weight of 553.60 g/mol, XLogP of 4.97, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[1-[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 135256846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).