N-[6-[[1-hydroxy-3-methyl-5-oxo-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide

C18H19F3N6O3 — CID 142483378

IUPACN-[6-[[1-hydroxy-3-methyl-5-oxo-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide
SMILESCC1(CC(F)(F)F)NC(O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21
InChIInChI=1S/C18H19F3N6O3/c1-17(7-18(19,20)21)26-15(29)11-5-4-10(16(30)27(11)17)24-12-6-13(23-8-22-12)25-14(28)9-2-3-9/h4-6,8-9,15,26,29H,2-3,7H2,1H3,(H2,22,23,24,25,28)
InChIKeyVWIVRNWTLKBLTF-UHFFFAOYSA-N
MW424.38 g/mol
LogP1.95
Rot. Bonds5

About N-[6-[[1-hydroxy-3-methyl-5-oxo-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide

N-[6-[[1-hydroxy-3-methyl-5-oxo-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide (PubChem CID 142483378) has the molecular formula C18H19F3N6O3 and a molecular weight of 424.38 g/mol. Its IUPAC name is N-[6-[[1-hydroxy-3-methyl-5-oxo-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[[1-hydroxy-3-methyl-5-oxo-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide
PubChem CID142483378
Molecular FormulaC18H19F3N6O3
Molecular Weight424.38 g/mol
Exact Mass424.15
IUPAC NameN-[6-[[1-hydroxy-3-methyl-5-oxo-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide
SMILESCC1(CC(F)(F)F)NC(O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21
InChIInChI=1S/C18H19F3N6O3/c1-17(7-18(19,20)21)26-15(29)11-5-4-10(16(30)27(11)17)24-12-6-13(23-8-22-12)25-14(28)9-2-3-9/h4-6,8-9,15,26,29H,2-3,7H2,1H3,(H2,22,23,24,25,28)
InChIKeyVWIVRNWTLKBLTF-UHFFFAOYSA-N
XLogP1.95
TPSA121.17 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.38
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[6-[[1-hydroxy-3-methyl-5-oxo-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

US9669031, 10 N-(6-((3,3-dimethyl-1,5-dioxo-1,2,3,5-tetrahydroimidazo[1,5-a]pyridin-6-yl)amino)pyrimidin-4-yl)cyclopropanecarboxamide (Cpd. No. 10)
CID 118598698
US9669031, 62 N-[6-[(8-chloro-1',1'-difluoro-1,5-dioxo-spiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide (Cpd. No. 62)
CID 118598637
US9669031, 46 N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide (Cpd. No. 46)
CID 118598756
US9669031, 59 6-((6-((1-cyclopropyl-2,2,2-trifluoroethyl)amino)pyrimidin-4-yl)amino)-3-methyl-3-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione (Cpd. No. 59)
CID 118598770
US9669031, 22 N-(6-((3-methyl-1,5-dioxo-3-(2,2,2-trifluoroethyl)-1,2,3,5-tetrahydroimidazo[1,5-a]pyridin-6-yl)amino)pyrimidin-4-yl)cyclopropanecarboxamide (Cpd. No. 22)
CID 118598803
US9669031, 24 N-[6-[[3-methyl-1,5-dioxo-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide (Cpd. No. 24)
CID 118598912
US9669031, 85 N-[6-[[8-chloro-1,5-dioxo-3-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide (Cpd. No. 85)
CID 118599011
US9669031, 49 N-(6-((8-chloro-3-methyl-1,5-dioxo-3-(trifluoromethyl)-1,2,3,5-tetrahydroimidazo[1,5-a]pyridin-6-yl)amino)pyrimidin-4-yl)cyclopropanecarboxamide (Cpd. No. 49)
CID 118599076
US9669031, 43 N-[6-[(8-chloro-3,3-dimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide (Cpd. No. 43)
CID 118598805
US9669031, 29 N-[6-[(3-isopropyl-3-methyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide (Cpd. No. 29)
CID 118598957
8-[[6-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]pyrimidin-4-yl]amino]-5-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-e][1,3,5]oxadiazepin-7-one
CID 129190945
1-Hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-5-one
CID 130204991

Frequently Asked Questions

What is the IUPAC name of N-[6-[[1-hydroxy-3-methyl-5-oxo-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[[1-hydroxy-3-methyl-5-oxo-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide (CID 142483378) is N-[6-[[1-hydroxy-3-methyl-5-oxo-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[[1-hydroxy-3-methyl-5-oxo-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[[1-hydroxy-3-methyl-5-oxo-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide is CC1(CC(F)(F)F)NC(O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21.
What is the InChIKey of N-[6-[[1-hydroxy-3-methyl-5-oxo-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide?
The InChIKey is VWIVRNWTLKBLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6O3/c1-17(7-18(19,20)21)26-15(29)11-5-4-10(16(30)27(11)17)24-12-6-13(23-8-22-12)25-14(28)9-2-3-9/h4-6,8-9,15,26,29H,2-3,7H2,1H3,(H2,22,23,24,25,28).
What are the key properties of N-[6-[[1-hydroxy-3-methyl-5-oxo-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide?
N-[6-[[1-hydroxy-3-methyl-5-oxo-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide has a molecular weight of 424.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[1-hydroxy-3-methyl-5-oxo-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 142483378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).