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

C23H22F2N8O2 — CID 166484811

IUPAC5-(difluoromethyl)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide
SMILESCn1cnc2c(-c3nc(C(N)=O)c(Nc4ccc(N5CCOCC5)cc4)nc3C(F)F)cncc21
InChIInChI=1S/C23H22F2N8O2/c1-32-12-28-17-15(10-27-11-16(17)32)18-19(21(24)25)31-23(20(30-18)22(26)34)29-13-2-4-14(5-3-13)33-6-8-35-9-7-33/h2-5,10-12,21H,6-9H2,1H3,(H2,26,34)(H,29,31)
InChIKeyIFYFIPLCOHYJSO-UHFFFAOYSA-N
MW480.48 g/mol
LogP3.04
Rot. Bonds6

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

5-(difluoromethyl)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide (PubChem CID 166484811) has the molecular formula C23H22F2N8O2 and a molecular weight of 480.48 g/mol. Its IUPAC name is 5-(difluoromethyl)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide
PubChem CID166484811
Molecular FormulaC23H22F2N8O2
Molecular Weight480.48 g/mol
Exact Mass480.18
IUPAC Name5-(difluoromethyl)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide
SMILESCn1cnc2c(-c3nc(C(N)=O)c(Nc4ccc(N5CCOCC5)cc4)nc3C(F)F)cncc21
InChIInChI=1S/C23H22F2N8O2/c1-32-12-28-17-15(10-27-11-16(17)32)18-19(21(24)25)31-23(20(30-18)22(26)34)29-13-2-4-14(5-3-13)33-6-8-35-9-7-33/h2-5,10-12,21H,6-9H2,1H3,(H2,26,34)(H,29,31)
InChIKeyIFYFIPLCOHYJSO-UHFFFAOYSA-N
XLogP3.04
TPSA124.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.48
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide?
The IUPAC name of 5-(difluoromethyl)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide (CID 166484811) is 5-(difluoromethyl)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide is Cn1cnc2c(-c3nc(C(N)=O)c(Nc4ccc(N5CCOCC5)cc4)nc3C(F)F)cncc21.
What is the InChIKey of 5-(difluoromethyl)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide?
The InChIKey is IFYFIPLCOHYJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N8O2/c1-32-12-28-17-15(10-27-11-16(17)32)18-19(21(24)25)31-23(20(30-18)22(26)34)29-13-2-4-14(5-3-13)33-6-8-35-9-7-33/h2-5,10-12,21H,6-9H2,1H3,(H2,26,34)(H,29,31).
What are the key properties of 5-(difluoromethyl)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide?
5-(difluoromethyl)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide has a molecular weight of 480.48 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 166484811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).