N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide

C17H14ClF3N6O3 — CID 118599076

IUPACN-[6-[[8-chloro-3-methyl-1,5-dioxo-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide
SMILESCC1(C(F)(F)F)NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21
InChIInChI=1S/C17H14ClF3N6O3/c1-16(17(19,20)21)26-14(29)12-8(18)4-9(15(30)27(12)16)24-10-5-11(23-6-22-10)25-13(28)7-2-3-7/h4-7H,2-3H2,1H3,(H,26,29)(H2,22,23,24,25,28)
InChIKeyOKFHPNCIMLAJFM-UHFFFAOYSA-N
MW442.79 g/mol
LogP2.36
Rot. Bonds4

About N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide

N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide (PubChem CID 118599076) has the molecular formula C17H14ClF3N6O3 and a molecular weight of 442.79 g/mol. Its IUPAC name is N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[[8-chloro-3-methyl-1,5-dioxo-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide
PubChem CID118599076
Molecular FormulaC17H14ClF3N6O3
Molecular Weight442.79 g/mol
Exact Mass442.08
IUPAC NameN-[6-[[8-chloro-3-methyl-1,5-dioxo-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide
SMILESCC1(C(F)(F)F)NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21
InChIInChI=1S/C17H14ClF3N6O3/c1-16(17(19,20)21)26-14(29)12-8(18)4-9(15(30)27(12)16)24-10-5-11(23-6-22-10)25-13(28)7-2-3-7/h4-7H,2-3H2,1H3,(H,26,29)(H2,22,23,24,25,28)
InChIKeyOKFHPNCIMLAJFM-UHFFFAOYSA-N
XLogP2.36
TPSA118.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.79
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide (CID 118599076) is N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide is CC1(C(F)(F)F)NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21.
What is the InChIKey of N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide?
The InChIKey is OKFHPNCIMLAJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N6O3/c1-16(17(19,20)21)26-14(29)12-8(18)4-9(15(30)27(12)16)24-10-5-11(23-6-22-10)25-13(28)7-2-3-7/h4-7H,2-3H2,1H3,(H,26,29)(H2,22,23,24,25,28).
What are the key properties of N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide?
N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide has a molecular weight of 442.79 g/mol, XLogP of 2.36, 4 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-methyl-1,5-dioxo-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 118599076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).