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

C24H26FN9O2 — CID 166484979

IUPAC3-(2-fluoro-3-methyl-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide
SMILESCNc1nc(Nc2ccc(N3CCOCC3)c(C)c2F)c(C(N)=O)nc1-c1cncc2c1ncn2C
InChIInChI=1S/C24H26FN9O2/c1-13-16(34-6-8-36-9-7-34)5-4-15(18(13)25)30-24-21(22(26)35)31-20(23(27-2)32-24)14-10-28-11-17-19(14)29-12-33(17)3/h4-5,10-12H,6-9H2,1-3H3,(H2,26,35)(H2,27,30,32)
InChIKeyHNHJNTDDQPXOQK-UHFFFAOYSA-N
MW491.53 g/mol
LogP2.59
Rot. Bonds6

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

3-(2-fluoro-3-methyl-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide (PubChem CID 166484979) has the molecular formula C24H26FN9O2 and a molecular weight of 491.53 g/mol. Its IUPAC name is 3-(2-fluoro-3-methyl-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(2-fluoro-3-methyl-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide
PubChem CID166484979
Molecular FormulaC24H26FN9O2
Molecular Weight491.53 g/mol
Exact Mass491.22
IUPAC Name3-(2-fluoro-3-methyl-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide
SMILESCNc1nc(Nc2ccc(N3CCOCC3)c(C)c2F)c(C(N)=O)nc1-c1cncc2c1ncn2C
InChIInChI=1S/C24H26FN9O2/c1-13-16(34-6-8-36-9-7-34)5-4-15(18(13)25)30-24-21(22(26)35)31-20(23(27-2)32-24)14-10-28-11-17-19(14)29-12-33(17)3/h4-5,10-12H,6-9H2,1-3H3,(H2,26,35)(H2,27,30,32)
InChIKeyHNHJNTDDQPXOQK-UHFFFAOYSA-N
XLogP2.59
TPSA136.11 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.53
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-3-methyl-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-3-methyl-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide (CID 166484979) is 3-(2-fluoro-3-methyl-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-3-methyl-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-3-methyl-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide is CNc1nc(Nc2ccc(N3CCOCC3)c(C)c2F)c(C(N)=O)nc1-c1cncc2c1ncn2C.
What is the InChIKey of 3-(2-fluoro-3-methyl-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide?
The InChIKey is HNHJNTDDQPXOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN9O2/c1-13-16(34-6-8-36-9-7-34)5-4-15(18(13)25)30-24-21(22(26)35)31-20(23(27-2)32-24)14-10-28-11-17-19(14)29-12-33(17)3/h4-5,10-12H,6-9H2,1-3H3,(H2,26,35)(H2,27,30,32).
What are the key properties of 3-(2-fluoro-3-methyl-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide?
3-(2-fluoro-3-methyl-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide has a molecular weight of 491.53 g/mol, XLogP of 2.59, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-3-methyl-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 166484979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).