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

C23H23ClFN9O2 — CID 166484771

IUPAC3-(3-chloro-2-fluoro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide
SMILESCNc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2F)c(C(N)=O)nc1-c1cncc2c1ncn2C
InChIInChI=1S/C23H23ClFN9O2/c1-27-22-19(12-9-28-10-15-18(12)29-11-33(15)2)31-20(21(26)35)23(32-22)30-13-3-4-14(16(24)17(13)25)34-5-7-36-8-6-34/h3-4,9-11H,5-8H2,1-2H3,(H2,26,35)(H2,27,30,32)
InChIKeyYJBBDZCASOLWJP-UHFFFAOYSA-N
MW511.95 g/mol
LogP2.94
Rot. Bonds6

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

3-(3-chloro-2-fluoro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide (PubChem CID 166484771) has the molecular formula C23H23ClFN9O2 and a molecular weight of 511.95 g/mol. Its IUPAC name is 3-(3-chloro-2-fluoro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(3-chloro-2-fluoro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide
PubChem CID166484771
Molecular FormulaC23H23ClFN9O2
Molecular Weight511.95 g/mol
Exact Mass511.16
IUPAC Name3-(3-chloro-2-fluoro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide
SMILESCNc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2F)c(C(N)=O)nc1-c1cncc2c1ncn2C
InChIInChI=1S/C23H23ClFN9O2/c1-27-22-19(12-9-28-10-15-18(12)29-11-33(15)2)31-20(21(26)35)23(32-22)30-13-3-4-14(16(24)17(13)25)34-5-7-36-8-6-34/h3-4,9-11H,5-8H2,1-2H3,(H2,26,35)(H2,27,30,32)
InChIKeyYJBBDZCASOLWJP-UHFFFAOYSA-N
XLogP2.94
TPSA136.11 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.95
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 3-(3-chloro-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-(3-chloro-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-(3-chloro-2-fluoro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide (CID 166484771) is 3-(3-chloro-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-(3-chloro-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-(3-chloro-2-fluoro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide is CNc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2F)c(C(N)=O)nc1-c1cncc2c1ncn2C.
What is the InChIKey of 3-(3-chloro-2-fluoro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide?
The InChIKey is YJBBDZCASOLWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN9O2/c1-27-22-19(12-9-28-10-15-18(12)29-11-33(15)2)31-20(21(26)35)23(32-22)30-13-3-4-14(16(24)17(13)25)34-5-7-36-8-6-34/h3-4,9-11H,5-8H2,1-2H3,(H2,26,35)(H2,27,30,32).
What are the key properties of 3-(3-chloro-2-fluoro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide?
3-(3-chloro-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 511.95 g/mol, XLogP of 2.94, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-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 166484771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).