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

C23H23F2N9O2 — CID 166484728

IUPAC3-(2,3-difluoro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide
SMILESCNc1nc(Nc2ccc(N3CCOCC3)c(F)c2F)c(C(N)=O)nc1-c1cncc2c1ncn2C
InChIInChI=1S/C23H23F2N9O2/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(17(25)16(13)24)34-5-7-36-8-6-34/h3-4,9-11H,5-8H2,1-2H3,(H2,26,35)(H2,27,30,32)
InChIKeyJXKCKAOMEWAWMG-UHFFFAOYSA-N
MW495.49 g/mol
LogP2.42
Rot. Bonds6

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

3-(2,3-difluoro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide (PubChem CID 166484728) has the molecular formula C23H23F2N9O2 and a molecular weight of 495.49 g/mol. Its IUPAC name is 3-(2,3-difluoro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(2,3-difluoro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide
PubChem CID166484728
Molecular FormulaC23H23F2N9O2
Molecular Weight495.49 g/mol
Exact Mass495.19
IUPAC Name3-(2,3-difluoro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide
SMILESCNc1nc(Nc2ccc(N3CCOCC3)c(F)c2F)c(C(N)=O)nc1-c1cncc2c1ncn2C
InChIInChI=1S/C23H23F2N9O2/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(17(25)16(13)24)34-5-7-36-8-6-34/h3-4,9-11H,5-8H2,1-2H3,(H2,26,35)(H2,27,30,32)
InChIKeyJXKCKAOMEWAWMG-UHFFFAOYSA-N
XLogP2.42
TPSA136.11 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.49
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluoro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-(2,3-difluoro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide (CID 166484728) is 3-(2,3-difluoro-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-(2,3-difluoro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-(2,3-difluoro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide is CNc1nc(Nc2ccc(N3CCOCC3)c(F)c2F)c(C(N)=O)nc1-c1cncc2c1ncn2C.
What is the InChIKey of 3-(2,3-difluoro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide?
The InChIKey is JXKCKAOMEWAWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N9O2/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(17(25)16(13)24)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-(2,3-difluoro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide?
3-(2,3-difluoro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide has a molecular weight of 495.49 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluoro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 166484728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).