N-[6-[[3-(3-fluorophenyl)-3-methyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide

C22H19FN6O3 — CID 118599141

IUPACN-[6-[[3-(3-fluorophenyl)-3-methyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide
SMILESCC1(c2cccc(F)c2)NC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21
InChIInChI=1S/C22H19FN6O3/c1-22(13-3-2-4-14(23)9-13)28-20(31)16-8-7-15(21(32)29(16)22)26-17-10-18(25-11-24-17)27-19(30)12-5-6-12/h2-4,7-12H,5-6H2,1H3,(H,28,31)(H2,24,25,26,27,30)
InChIKeyFQGCYYMRDLPKSG-UHFFFAOYSA-N
MW434.43 g/mol
LogP2.33
Rot. Bonds5

About N-[6-[[3-(3-fluorophenyl)-3-methyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide

N-[6-[[3-(3-fluorophenyl)-3-methyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide (PubChem CID 118599141) has the molecular formula C22H19FN6O3 and a molecular weight of 434.43 g/mol. Its IUPAC name is N-[6-[[3-(3-fluorophenyl)-3-methyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[[3-(3-fluorophenyl)-3-methyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide
PubChem CID118599141
Molecular FormulaC22H19FN6O3
Molecular Weight434.43 g/mol
Exact Mass434.15
IUPAC NameN-[6-[[3-(3-fluorophenyl)-3-methyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide
SMILESCC1(c2cccc(F)c2)NC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21
InChIInChI=1S/C22H19FN6O3/c1-22(13-3-2-4-14(23)9-13)28-20(31)16-8-7-15(21(32)29(16)22)26-17-10-18(25-11-24-17)27-19(30)12-5-6-12/h2-4,7-12H,5-6H2,1H3,(H,28,31)(H2,24,25,26,27,30)
InChIKeyFQGCYYMRDLPKSG-UHFFFAOYSA-N
XLogP2.33
TPSA118.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.43
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[6-[[3-(3-fluorophenyl)-3-methyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

6-(cyclohexyl(cyclopropylmethyl)amino)-N-(4-((dimethylamino)methyl)phenyl)pyrimidine-4-carboxamide
CID 25182921
US9669031, 51 N-[6-[[8-chloro-3-(3-chlorophenyl)-3-methyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide (Cpd. No. 51)
CID 118599023
N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 153321091
4-fluoro-N-[6-(1-piperidinyl)-4-pyrimidinyl]benzamide
CID 701325
N-(cyclopropylmethyl)-6-(3,3-difluoropyrrolidin-1-yl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide
CID 149063545
N-(cyclopropylmethyl)-6-[3-(dimethylamino)pyrrolidin-1-yl]-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide
CID 153321119
N-[4-(aminomethyl)phenyl]-6-[(cyclopropylmethyl)(propyl)amino]pyrimidine-4-carboxamide
CID 25182932
6-[(cyclopropylmethyl)(propyl)amino]-N-{2-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl}pyrimidine-4-carboxamide
CID 25183066
US9359338, Exe. 123
CID 118233927
N-[6-[[8-chloro-3-(3-fluorophenyl)-3-methyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 118598561
US9669031, 27 3-(3,5-difluorophenyl)-3-methyl-6-(pyrimidin-4-ylamino)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione (Cpd. No. 27)
CID 118598580
US9669031, 57 8-chloro-3-(3-fluorophenyl)-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione (Cpd. No. 57)
CID 118598611

Frequently Asked Questions

What is the IUPAC name of N-[6-[[3-(3-fluorophenyl)-3-methyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[[3-(3-fluorophenyl)-3-methyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide (CID 118599141) is N-[6-[[3-(3-fluorophenyl)-3-methyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[[3-(3-fluorophenyl)-3-methyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[[3-(3-fluorophenyl)-3-methyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide is CC1(c2cccc(F)c2)NC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21.
What is the InChIKey of N-[6-[[3-(3-fluorophenyl)-3-methyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide?
The InChIKey is FQGCYYMRDLPKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O3/c1-22(13-3-2-4-14(23)9-13)28-20(31)16-8-7-15(21(32)29(16)22)26-17-10-18(25-11-24-17)27-19(30)12-5-6-12/h2-4,7-12H,5-6H2,1H3,(H,28,31)(H2,24,25,26,27,30).
What are the key properties of N-[6-[[3-(3-fluorophenyl)-3-methyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide?
N-[6-[[3-(3-fluorophenyl)-3-methyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide has a molecular weight of 434.43 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[3-(3-fluorophenyl)-3-methyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 118599141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).