N-[6-[[1'-(2,2-difluoroethyl)-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl]amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide

C23H27F2N7O3 — CID 118598643

IUPACN-[6-[[1'-(2,2-difluoroethyl)-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl]amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide
SMILESCc1cc(Nc2ncnc(NC(=O)C3CC3)c2C)c(=O)n2c1C(=O)NC21CCN(CC(F)F)CC1
InChIInChI=1S/C23H27F2N7O3/c1-12-9-15(28-18-13(2)19(27-11-26-18)29-20(33)14-3-4-14)22(35)32-17(12)21(34)30-23(32)5-7-31(8-6-23)10-16(24)25/h9,11,14,16H,3-8,10H2,1-2H3,(H,30,34)(H2,26,27,28,29,33)
InChIKeyCDHRCFRDWKGXEQ-UHFFFAOYSA-N
MW487.51 g/mol
LogP2.10
Rot. Bonds6

About N-[6-[[1'-(2,2-difluoroethyl)-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl]amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide

N-[6-[[1'-(2,2-difluoroethyl)-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl]amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide (PubChem CID 118598643) has the molecular formula C23H27F2N7O3 and a molecular weight of 487.51 g/mol. Its IUPAC name is N-[6-[[1'-(2,2-difluoroethyl)-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl]amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[[1'-(2,2-difluoroethyl)-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl]amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide
PubChem CID118598643
Molecular FormulaC23H27F2N7O3
Molecular Weight487.51 g/mol
Exact Mass487.21
IUPAC NameN-[6-[[1'-(2,2-difluoroethyl)-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl]amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide
SMILESCc1cc(Nc2ncnc(NC(=O)C3CC3)c2C)c(=O)n2c1C(=O)NC21CCN(CC(F)F)CC1
InChIInChI=1S/C23H27F2N7O3/c1-12-9-15(28-18-13(2)19(27-11-26-18)29-20(33)14-3-4-14)22(35)32-17(12)21(34)30-23(32)5-7-31(8-6-23)10-16(24)25/h9,11,14,16H,3-8,10H2,1-2H3,(H,30,34)(H2,26,27,28,29,33)
InChIKeyCDHRCFRDWKGXEQ-UHFFFAOYSA-N
XLogP2.10
TPSA121.25 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.51
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[6-[[1'-(2,2-difluoroethyl)-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl]amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-[6-[[1'-(2,2-difluoroethyl)-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl]amino]-5-methoxypyrimidin-4-yl]cyclopropanecarboxamide
CID 118598928
N-[6-[(1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide
CID 118598914
CID 166460720
CID 166460720
CID 166460767
CID 166460767
CID 166460764
CID 166460764
N-[5-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide
CID 162431109
8-methyl-6-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione
CID 135259019
6-[[(7S)-7-[3-(dimethylamino)azetidine-1-carbonyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]-4',4'-difluoro-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 142402838
CID 172572700
CID 172572700
2-[6-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]purin-9-yl]acetic acid
CID 135259067
6-[(6-amino-5-methoxypyrimidin-4-yl)amino]-1'-(isocyanomethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 123831332
8-methyl-6-(quinazolin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione
CID 142402610

Frequently Asked Questions

What is the IUPAC name of N-[6-[[1'-(2,2-difluoroethyl)-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl]amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[[1'-(2,2-difluoroethyl)-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl]amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide (CID 118598643) is N-[6-[[1'-(2,2-difluoroethyl)-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl]amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[[1'-(2,2-difluoroethyl)-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl]amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[[1'-(2,2-difluoroethyl)-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl]amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide is Cc1cc(Nc2ncnc(NC(=O)C3CC3)c2C)c(=O)n2c1C(=O)NC21CCN(CC(F)F)CC1.
What is the InChIKey of N-[6-[[1'-(2,2-difluoroethyl)-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl]amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide?
The InChIKey is CDHRCFRDWKGXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N7O3/c1-12-9-15(28-18-13(2)19(27-11-26-18)29-20(33)14-3-4-14)22(35)32-17(12)21(34)30-23(32)5-7-31(8-6-23)10-16(24)25/h9,11,14,16H,3-8,10H2,1-2H3,(H,30,34)(H2,26,27,28,29,33).
What are the key properties of N-[6-[[1'-(2,2-difluoroethyl)-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl]amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide?
N-[6-[[1'-(2,2-difluoroethyl)-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl]amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide has a molecular weight of 487.51 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[1'-(2,2-difluoroethyl)-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl]amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 118598643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).