N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide

C18H20FN7O — CID 166507953

IUPACN-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide
SMILESCN[C@@H]1CCN(c2ccc(C(=O)Nc3cc(F)c4nc(C)cn4c3)nn2)C1
InChIInChI=1S/C18H20FN7O/c1-11-8-26-10-13(7-14(19)17(26)21-11)22-18(27)15-3-4-16(24-23-15)25-6-5-12(9-25)20-2/h3-4,7-8,10,12,20H,5-6,9H2,1-2H3,(H,22,27)/t12-/m1/s1
InChIKeyDERJYAJVQIAQJO-GFCCVEGCSA-N
MW369.40 g/mol
LogP1.62
Rot. Bonds4

About N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide

N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide (PubChem CID 166507953) has the molecular formula C18H20FN7O and a molecular weight of 369.40 g/mol. Its IUPAC name is N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide
PubChem CID166507953
Molecular FormulaC18H20FN7O
Molecular Weight369.40 g/mol
Exact Mass369.17
IUPAC NameN-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide
SMILESCN[C@@H]1CCN(c2ccc(C(=O)Nc3cc(F)c4nc(C)cn4c3)nn2)C1
InChIInChI=1S/C18H20FN7O/c1-11-8-26-10-13(7-14(19)17(26)21-11)22-18(27)15-3-4-16(24-23-15)25-6-5-12(9-25)20-2/h3-4,7-8,10,12,20H,5-6,9H2,1-2H3,(H,22,27)/t12-/m1/s1
InChIKeyDERJYAJVQIAQJO-GFCCVEGCSA-N
XLogP1.62
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-(1H-imidazol-1-yl)propyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3113005
6-(dimethylamino)-4-((methylamino)methyl)-2-(6-(4-(propan-2-yl)-4H-1,2,4-triazol-3-yl)pyridin-2-yl)-1H,2H,3H-pyrrolo(3,4-c)pyridin-1-one
CID 146572046
7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide
CID 155925933
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(2-fluoro-pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 67775398
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(6-fluoropyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 67775852
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(2-fluoro-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 67776659
4-(3-Fluoro-azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (2-dimethylamino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-amide
CID 71538685
US10399985, Example 31
CID 118278223
US10077269, Example 6
CID 118863057
(R)-N-(1-Benzyl-1H-pyrazol-4-yl)-9-methyl-6-oxo-6,7,8,9-tetrahydropyrido[3',2':4,5]pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 53230343
Tyk2-IN-5
CID 91809175
2-[[(1R,2S)-2-aminocyclohexyl]amino]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide
CID 122196065

Frequently Asked Questions

What is the IUPAC name of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide?
The IUPAC name of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide (CID 166507953) is N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide is CN[C@@H]1CCN(c2ccc(C(=O)Nc3cc(F)c4nc(C)cn4c3)nn2)C1.
What is the InChIKey of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide?
The InChIKey is DERJYAJVQIAQJO-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20FN7O/c1-11-8-26-10-13(7-14(19)17(26)21-11)22-18(27)15-3-4-16(24-23-15)25-6-5-12(9-25)20-2/h3-4,7-8,10,12,20H,5-6,9H2,1-2H3,(H,22,27)/t12-/m1/s1.
What are the key properties of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide?
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 166507953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).