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

C24H26FN9O2 — CID 166484781

IUPAC3-[2-fluoro-4-(morpholin-4-ylmethyl)anilino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide
SMILESCNc1nc(Nc2ccc(CN3CCOCC3)cc2F)c(C(N)=O)nc1-c1cncc2c1ncn2C
InChIInChI=1S/C24H26FN9O2/c1-27-23-20(15-10-28-11-18-19(15)29-13-33(18)2)31-21(22(26)35)24(32-23)30-17-4-3-14(9-16(17)25)12-34-5-7-36-8-6-34/h3-4,9-11,13H,5-8,12H2,1-2H3,(H2,26,35)(H2,27,30,32)
InChIKeyUZEKWDMCCPZOCR-UHFFFAOYSA-N
MW491.53 g/mol
LogP2.28
Rot. Bonds7

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

3-[2-fluoro-4-(morpholin-4-ylmethyl)anilino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide (PubChem CID 166484781) has the molecular formula C24H26FN9O2 and a molecular weight of 491.53 g/mol. Its IUPAC name is 3-[2-fluoro-4-(morpholin-4-ylmethyl)anilino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[2-fluoro-4-(morpholin-4-ylmethyl)anilino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide
PubChem CID166484781
Molecular FormulaC24H26FN9O2
Molecular Weight491.53 g/mol
Exact Mass491.22
IUPAC Name3-[2-fluoro-4-(morpholin-4-ylmethyl)anilino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide
SMILESCNc1nc(Nc2ccc(CN3CCOCC3)cc2F)c(C(N)=O)nc1-c1cncc2c1ncn2C
InChIInChI=1S/C24H26FN9O2/c1-27-23-20(15-10-28-11-18-19(15)29-13-33(18)2)31-21(22(26)35)24(32-23)30-17-4-3-14(9-16(17)25)12-34-5-7-36-8-6-34/h3-4,9-11,13H,5-8,12H2,1-2H3,(H2,26,35)(H2,27,30,32)
InChIKeyUZEKWDMCCPZOCR-UHFFFAOYSA-N
XLogP2.28
TPSA136.11 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.53
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-(morpholin-4-ylmethyl)anilino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-[2-fluoro-4-(morpholin-4-ylmethyl)anilino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide (CID 166484781) is 3-[2-fluoro-4-(morpholin-4-ylmethyl)anilino]-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-ylmethyl)anilino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-[2-fluoro-4-(morpholin-4-ylmethyl)anilino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide is CNc1nc(Nc2ccc(CN3CCOCC3)cc2F)c(C(N)=O)nc1-c1cncc2c1ncn2C.
What is the InChIKey of 3-[2-fluoro-4-(morpholin-4-ylmethyl)anilino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide?
The InChIKey is UZEKWDMCCPZOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN9O2/c1-27-23-20(15-10-28-11-18-19(15)29-13-33(18)2)31-21(22(26)35)24(32-23)30-17-4-3-14(9-16(17)25)12-34-5-7-36-8-6-34/h3-4,9-11,13H,5-8,12H2,1-2H3,(H2,26,35)(H2,27,30,32).
What are the key properties of 3-[2-fluoro-4-(morpholin-4-ylmethyl)anilino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide?
3-[2-fluoro-4-(morpholin-4-ylmethyl)anilino]-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 2.28, 7 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-ylmethyl)anilino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 166484781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).