3-(2-fluoro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide

C23H24FN9O2 — CID 166484890

IUPAC3-(2-fluoro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide
SMILESCNc1nc(Nc2ccc(N3CCOCC3)cc2F)c(C(N)=O)nc1-c1cncc2c1ncn2C
InChIInChI=1S/C23H24FN9O2/c1-26-22-19(14-10-27-11-17-18(14)28-12-32(17)2)30-20(21(25)34)23(31-22)29-16-4-3-13(9-15(16)24)33-5-7-35-8-6-33/h3-4,9-12H,5-8H2,1-2H3,(H2,25,34)(H2,26,29,31)
InChIKeyVBDNQIHZODXIKQ-UHFFFAOYSA-N
MW477.50 g/mol
LogP2.29
Rot. Bonds6

About 3-(2-fluoro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide

3-(2-fluoro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide (PubChem CID 166484890) has the molecular formula C23H24FN9O2 and a molecular weight of 477.50 g/mol. Its IUPAC name is 3-(2-fluoro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(2-fluoro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide
PubChem CID166484890
Molecular FormulaC23H24FN9O2
Molecular Weight477.50 g/mol
Exact Mass477.20
IUPAC Name3-(2-fluoro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide
SMILESCNc1nc(Nc2ccc(N3CCOCC3)cc2F)c(C(N)=O)nc1-c1cncc2c1ncn2C
InChIInChI=1S/C23H24FN9O2/c1-26-22-19(14-10-27-11-17-18(14)28-12-32(17)2)30-20(21(25)34)23(31-22)29-16-4-3-13(9-15(16)24)33-5-7-35-8-6-33/h3-4,9-12H,5-8H2,1-2H3,(H2,25,34)(H2,26,29,31)
InChIKeyVBDNQIHZODXIKQ-UHFFFAOYSA-N
XLogP2.29
TPSA136.11 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.50
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 3-(2-fluoro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-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 3-(2-fluoro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-(2-fluoro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide (CID 166484890) is 3-(2-fluoro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-(2-fluoro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-(2-fluoro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide is CNc1nc(Nc2ccc(N3CCOCC3)cc2F)c(C(N)=O)nc1-c1cncc2c1ncn2C.
What is the InChIKey of 3-(2-fluoro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide?
The InChIKey is VBDNQIHZODXIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN9O2/c1-26-22-19(14-10-27-11-17-18(14)28-12-32(17)2)30-20(21(25)34)23(31-22)29-16-4-3-13(9-15(16)24)33-5-7-35-8-6-33/h3-4,9-12H,5-8H2,1-2H3,(H2,25,34)(H2,26,29,31).
What are the key properties of 3-(2-fluoro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide?
3-(2-fluoro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide has a molecular weight of 477.50 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 166484890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).