N-cyclopropyl-2-methoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-6-(propan-2-ylamino)benzamide

C25H28N6O2 — CID 154636348

IUPACN-cyclopropyl-2-methoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-6-(propan-2-ylamino)benzamide
SMILESCOc1cc(-c2cnc3cc(-c4cnn(C)c4)ccn23)cc(NC(C)C)c1C(=O)NC1CC1
InChIInChI=1S/C25H28N6O2/c1-15(2)28-20-9-17(10-22(33-4)24(20)25(32)29-19-5-6-19)21-13-26-23-11-16(7-8-31(21)23)18-12-27-30(3)14-18/h7-15,19,28H,5-6H2,1-4H3,(H,29,32)
InChIKeyPKMXLJWHBUMSLN-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.12
Rot. Bonds7

About N-cyclopropyl-2-methoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-6-(propan-2-ylamino)benzamide

N-cyclopropyl-2-methoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-6-(propan-2-ylamino)benzamide (PubChem CID 154636348) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-cyclopropyl-2-methoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-6-(propan-2-ylamino)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-6-(propan-2-ylamino)benzamide
PubChem CID154636348
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC NameN-cyclopropyl-2-methoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-6-(propan-2-ylamino)benzamide
SMILESCOc1cc(-c2cnc3cc(-c4cnn(C)c4)ccn23)cc(NC(C)C)c1C(=O)NC1CC1
InChIInChI=1S/C25H28N6O2/c1-15(2)28-20-9-17(10-22(33-4)24(20)25(32)29-19-5-6-19)21-13-26-23-11-16(7-8-31(21)23)18-12-27-30(3)14-18/h7-15,19,28H,5-6H2,1-4H3,(H,29,32)
InChIKeyPKMXLJWHBUMSLN-UHFFFAOYSA-N
XLogP4.12
TPSA85.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide
CID 154636367
2-methoxy-6-(methylamino)-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
CID 154636413
2-(2-hydroxyethylamino)-6-methoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
CID 154636463
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)benzamide
CID 146275227
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(6-methylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 154636406
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-methyl-3-oxobutan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 166009657
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[(1-methylpyrazol-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]benzamide
CID 146275382
N-cyclopropyl-2-(difluoromethoxy)-4-[7-(1-hydroxycyclobutyl)imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide
CID 155727602
N-cyclopropyl-2-(difluoromethoxy)-4-[7-(2-hydroxyethoxy)imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide
CID 146273347
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(6-methylheptan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;ethane
CID 155727282
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(oxetan-3-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 155727400
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 146273484

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-6-(propan-2-ylamino)benzamide?
The IUPAC name of N-cyclopropyl-2-methoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-6-(propan-2-ylamino)benzamide (CID 154636348) is N-cyclopropyl-2-methoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-6-(propan-2-ylamino)benzamide.
What is the SMILES notation for N-cyclopropyl-2-methoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-6-(propan-2-ylamino)benzamide?
The canonical SMILES for N-cyclopropyl-2-methoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-6-(propan-2-ylamino)benzamide is COc1cc(-c2cnc3cc(-c4cnn(C)c4)ccn23)cc(NC(C)C)c1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-methoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-6-(propan-2-ylamino)benzamide?
The InChIKey is PKMXLJWHBUMSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-15(2)28-20-9-17(10-22(33-4)24(20)25(32)29-19-5-6-19)21-13-26-23-11-16(7-8-31(21)23)18-12-27-30(3)14-18/h7-15,19,28H,5-6H2,1-4H3,(H,29,32).
What are the key properties of N-cyclopropyl-2-methoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-6-(propan-2-ylamino)benzamide?
N-cyclopropyl-2-methoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-6-(propan-2-ylamino)benzamide has a molecular weight of 444.54 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-6-(propan-2-ylamino)benzamide is sourced from PubChem (CID 154636348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).