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

C23H25N9O2 — CID 166485011

IUPAC5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide
SMILESCNc1nc(Nc2ccc(N3CCOCC3)cc2)c(C(N)=O)nc1-c1cncc2c1ncn2C
InChIInChI=1S/C23H25N9O2/c1-25-22-19(16-11-26-12-17-18(16)27-13-31(17)2)29-20(21(24)33)23(30-22)28-14-3-5-15(6-4-14)32-7-9-34-10-8-32/h3-6,11-13H,7-10H2,1-2H3,(H2,24,33)(H2,25,28,30)
InChIKeyLHHRWQSZVGBCHK-UHFFFAOYSA-N
MW459.51 g/mol
LogP2.15
Rot. Bonds6

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

5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide (PubChem CID 166485011) has the molecular formula C23H25N9O2 and a molecular weight of 459.51 g/mol. Its IUPAC name is 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide
PubChem CID166485011
Molecular FormulaC23H25N9O2
Molecular Weight459.51 g/mol
Exact Mass459.21
IUPAC Name5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide
SMILESCNc1nc(Nc2ccc(N3CCOCC3)cc2)c(C(N)=O)nc1-c1cncc2c1ncn2C
InChIInChI=1S/C23H25N9O2/c1-25-22-19(16-11-26-12-17-18(16)27-13-31(17)2)29-20(21(24)33)23(30-22)28-14-3-5-15(6-4-14)32-7-9-34-10-8-32/h3-6,11-13H,7-10H2,1-2H3,(H2,24,33)(H2,25,28,30)
InChIKeyLHHRWQSZVGBCHK-UHFFFAOYSA-N
XLogP2.15
TPSA136.11 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide?
The IUPAC name of 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide (CID 166485011) is 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide?
The canonical SMILES for 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide is CNc1nc(Nc2ccc(N3CCOCC3)cc2)c(C(N)=O)nc1-c1cncc2c1ncn2C.
What is the InChIKey of 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide?
The InChIKey is LHHRWQSZVGBCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N9O2/c1-25-22-19(16-11-26-12-17-18(16)27-13-31(17)2)29-20(21(24)33)23(30-22)28-14-3-5-15(6-4-14)32-7-9-34-10-8-32/h3-6,11-13H,7-10H2,1-2H3,(H2,24,33)(H2,25,28,30).
What are the key properties of 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide?
5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide has a molecular weight of 459.51 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 166485011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).