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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Related Compounds

Lck inhibitor
CID 11785878
5-(2-Morpholin-4-Yl-7-Pyridin-3-Yl-6,7-Dihydro-5h-Pyrrolo[2,3-D]pyrimidin-4-Yl)-Pyrimidin-2-Ylamine
CID 24889936
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyridine-2-carboxylic acid (2-phenyl-imidazo[1,2-a]pyrimidin-7-yl)-amide
CID 53468024
N-{5-[4-(hydroxymethyl)piperidin-1-yl]-1-methyl-2-(morpholin-4-yl)-1H-benzimidazol-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 138376590
7-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 70116605
1-(1-(2-ethoxyethyl)-3-ethyl-7-(4-methylpyridin-2-ylamino)-1H-pyrazolo[4,3-d]pyrimidin-5-yl)piperidine-3-carboxamide
CID 11496164
1-(2-ethoxyethyl)-N-methyl-7-[(4-methyl-2-pyridinyl)amino]-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidine-3-carboxamide
CID 11775013
1-[4-(3-ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)phenyl]-3-pyridin-4-ylurea
CID 44187604
1-[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo-[4,5-d]pyrimidin-5-yl)phenyl]-3-pyridin-3-ylurea
CID 44187783
1-[4-(3-isopropyl-7-morpholin-4-yl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)-phenyl]-3-pyridin-4-yl-urea
CID 44188842
1-[4-(3-isopropyl-7-morpholin-4-yl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)-phenyl]-3-pyridin-3-yl-urea
CID 44188843
1-(2-ethoxyethyl)-3-ethyl-N-(4-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 46887035

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).