N-[6-[[8-chloro-3-(3-fluorophenyl)-1,5-dioxo-2,3-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide

C21H16ClFN6O3 — CID 118599064

IUPACN-[6-[[8-chloro-3-(3-fluorophenyl)-1,5-dioxo-2,3-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide
SMILESO=C1NC(c2cccc(F)c2)n2c1c(Cl)cc(Nc1cc(NC(=O)C3CC3)ncn1)c2=O
InChIInChI=1S/C21H16ClFN6O3/c22-13-7-14(26-15-8-16(25-9-24-15)27-19(30)10-4-5-10)21(32)29-17(13)20(31)28-18(29)11-2-1-3-12(23)6-11/h1-3,6-10,18H,4-5H2,(H,28,31)(H2,24,25,26,27,30)
InChIKeyRIZCTXIJHJFDLN-UHFFFAOYSA-N
MW454.85 g/mol
LogP2.81
Rot. Bonds5

About N-[6-[[8-chloro-3-(3-fluorophenyl)-1,5-dioxo-2,3-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide

N-[6-[[8-chloro-3-(3-fluorophenyl)-1,5-dioxo-2,3-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide (PubChem CID 118599064) has the molecular formula C21H16ClFN6O3 and a molecular weight of 454.85 g/mol. Its IUPAC name is N-[6-[[8-chloro-3-(3-fluorophenyl)-1,5-dioxo-2,3-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[[8-chloro-3-(3-fluorophenyl)-1,5-dioxo-2,3-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide
PubChem CID118599064
Molecular FormulaC21H16ClFN6O3
Molecular Weight454.85 g/mol
Exact Mass454.10
IUPAC NameN-[6-[[8-chloro-3-(3-fluorophenyl)-1,5-dioxo-2,3-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide
SMILESO=C1NC(c2cccc(F)c2)n2c1c(Cl)cc(Nc1cc(NC(=O)C3CC3)ncn1)c2=O
InChIInChI=1S/C21H16ClFN6O3/c22-13-7-14(26-15-8-16(25-9-24-15)27-19(30)10-4-5-10)21(32)29-17(13)20(31)28-18(29)11-2-1-3-12(23)6-11/h1-3,6-10,18H,4-5H2,(H,28,31)(H2,24,25,26,27,30)
InChIKeyRIZCTXIJHJFDLN-UHFFFAOYSA-N
XLogP2.81
TPSA118.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.85
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[6-[[8-chloro-3-(3-fluorophenyl)-1,5-dioxo-2,3-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

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
N-(cyclopropylmethyl)-6-(3,3-difluoropyrrolidin-1-yl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide
CID 149063545
4-Amino-6-{3-amino-3-[(2,4-difluoro-benzoylamino)-methyl]-pyrrolidin-1-yl}-pyrimidine-5-carboxamide
CID 89446854
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
US9669031, 11 3-(4-fluorophenyl)-3-methyl-6-(pyrimidin-4-ylamino)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione (Cpd. No. 11)
CID 118599004
US9669031, 12 3-(3-fluorophenyl)-3-methyl-6-(pyrimidin-4-ylamino)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione (Cpd. No. 12)
CID 118599059
US9669031, 28 3-(3-chloro-5-fluorophenyl)-3-methyl-6-(pyrimidin-4-ylamino)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione (Cpd. No. 28)
CID 118599074
US9669031, 80 N-(6-((8-chloro-3-methyl-1,5-dioxo-3-(3-(trifluoromethyl)phenyl)-1,2,3,5-tetrahydroimidazo[1,5-a]pyridin-6-yl)amino)pyrimidin-4-yl)cyclopropanecarboxamide (Cpd. No. 80)
CID 118599090
US9669031, 30 N-[6-[[3-(3-fluorophenyl)-3-methyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide (Cpd. No. 30)
CID 118599141

Frequently Asked Questions

What is the IUPAC name of N-[6-[[8-chloro-3-(3-fluorophenyl)-1,5-dioxo-2,3-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[[8-chloro-3-(3-fluorophenyl)-1,5-dioxo-2,3-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide (CID 118599064) is N-[6-[[8-chloro-3-(3-fluorophenyl)-1,5-dioxo-2,3-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[[8-chloro-3-(3-fluorophenyl)-1,5-dioxo-2,3-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[[8-chloro-3-(3-fluorophenyl)-1,5-dioxo-2,3-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide is O=C1NC(c2cccc(F)c2)n2c1c(Cl)cc(Nc1cc(NC(=O)C3CC3)ncn1)c2=O.
What is the InChIKey of N-[6-[[8-chloro-3-(3-fluorophenyl)-1,5-dioxo-2,3-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide?
The InChIKey is RIZCTXIJHJFDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN6O3/c22-13-7-14(26-15-8-16(25-9-24-15)27-19(30)10-4-5-10)21(32)29-17(13)20(31)28-18(29)11-2-1-3-12(23)6-11/h1-3,6-10,18H,4-5H2,(H,28,31)(H2,24,25,26,27,30).
What are the key properties of N-[6-[[8-chloro-3-(3-fluorophenyl)-1,5-dioxo-2,3-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide?
N-[6-[[8-chloro-3-(3-fluorophenyl)-1,5-dioxo-2,3-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide has a molecular weight of 454.85 g/mol, XLogP of 2.81, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[8-chloro-3-(3-fluorophenyl)-1,5-dioxo-2,3-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 118599064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).