N-[4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyrazine-3,1'-cyclohexane]-6-yl)amino]-2-pyridinyl]cyclopropanecarboxamide

C21H24N6O3 — CID 118598620

IUPACN-[4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyrazine-3,1'-cyclohexane]-6-yl)amino]-2-pyridinyl]cyclopropanecarboxamide
SMILESCc1nc(Nc2ccnc(NC(=O)C3CC3)c2)c(=O)n2c1C(=O)NC21CCCCC1
InChIInChI=1S/C21H24N6O3/c1-12-16-19(29)26-21(8-3-2-4-9-21)27(16)20(30)17(23-12)24-14-7-10-22-15(11-14)25-18(28)13-5-6-13/h7,10-11,13H,2-6,8-9H2,1H3,(H,26,29)(H2,22,23,24,25,28)
InChIKeyWEZLFHVTQIXRFA-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.40
Rot. Bonds4

About N-[4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyrazine-3,1'-cyclohexane]-6-yl)amino]-2-pyridinyl]cyclopropanecarboxamide

N-[4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyrazine-3,1'-cyclohexane]-6-yl)amino]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 118598620) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyrazine-3,1'-cyclohexane]-6-yl)amino]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyrazine-3,1'-cyclohexane]-6-yl)amino]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID118598620
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC NameN-[4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyrazine-3,1'-cyclohexane]-6-yl)amino]-2-pyridinyl]cyclopropanecarboxamide
SMILESCc1nc(Nc2ccnc(NC(=O)C3CC3)c2)c(=O)n2c1C(=O)NC21CCCCC1
InChIInChI=1S/C21H24N6O3/c1-12-16-19(29)26-21(8-3-2-4-9-21)27(16)20(30)17(23-12)24-14-7-10-22-15(11-14)25-18(28)13-5-6-13/h7,10-11,13H,2-6,8-9H2,1H3,(H,26,29)(H2,22,23,24,25,28)
InChIKeyWEZLFHVTQIXRFA-UHFFFAOYSA-N
XLogP2.40
TPSA118.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyrazine-3,1'-cyclohexane]-6-yl)amino]-2-pyridinyl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-[2-[(8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]-4-pyridinyl]cyclopropanecarboxamide
CID 178180701
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
N-[6-[(8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 118598627
CID 166460767
CID 166460767
CID 166460764
CID 166460764
CID 166460720
CID 166460720
N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione;N-[6-[(8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 163687140
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
2-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyridine-3-carboxylic acid
CID 175918653
6-[(4-aminopyrimidin-2-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 162654959
CID 172572700
CID 172572700
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyrazine-3,1'-cyclohexane]-6-yl)amino]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyrazine-3,1'-cyclohexane]-6-yl)amino]-2-pyridinyl]cyclopropanecarboxamide (CID 118598620) is N-[4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyrazine-3,1'-cyclohexane]-6-yl)amino]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyrazine-3,1'-cyclohexane]-6-yl)amino]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyrazine-3,1'-cyclohexane]-6-yl)amino]-2-pyridinyl]cyclopropanecarboxamide is Cc1nc(Nc2ccnc(NC(=O)C3CC3)c2)c(=O)n2c1C(=O)NC21CCCCC1.
What is the InChIKey of N-[4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyrazine-3,1'-cyclohexane]-6-yl)amino]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is WEZLFHVTQIXRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-12-16-19(29)26-21(8-3-2-4-9-21)27(16)20(30)17(23-12)24-14-7-10-22-15(11-14)25-18(28)13-5-6-13/h7,10-11,13H,2-6,8-9H2,1H3,(H,26,29)(H2,22,23,24,25,28).
What are the key properties of N-[4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyrazine-3,1'-cyclohexane]-6-yl)amino]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyrazine-3,1'-cyclohexane]-6-yl)amino]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 408.46 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyrazine-3,1'-cyclohexane]-6-yl)amino]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 118598620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).