6-[(7-methoxyquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

C22H23N5O3 — CID 135259180

IUPAC6-[(7-methoxyquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESCOc1ccc2c(Nc3cc(C)c4n(c3=O)C3(CCCCC3)NC4=O)ncnc2c1
InChIInChI=1S/C22H23N5O3/c1-13-10-17(25-19-15-7-6-14(30-2)11-16(15)23-12-24-19)21(29)27-18(13)20(28)26-22(27)8-4-3-5-9-22/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,26,28)(H,23,24,25)
InChIKeyMEQNUBZEWIKJRL-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.21
Rot. Bonds3

About 6-[(7-methoxyquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

6-[(7-methoxyquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (PubChem CID 135259180) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 6-[(7-methoxyquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.

Molecular Properties

Compound Name6-[(7-methoxyquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
PubChem CID135259180
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name6-[(7-methoxyquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESCOc1ccc2c(Nc3cc(C)c4n(c3=O)C3(CCCCC3)NC4=O)ncnc2c1
InChIInChI=1S/C22H23N5O3/c1-13-10-17(25-19-15-7-6-14(30-2)11-16(15)23-12-24-19)21(29)27-18(13)20(28)26-22(27)8-4-3-5-9-22/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,26,28)(H,23,24,25)
InChIKeyMEQNUBZEWIKJRL-UHFFFAOYSA-N
XLogP3.21
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[(7-methoxyquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-methyl-6-(quinazolin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione
CID 142402610
8-methyl-6-[[6-(trifluoromethyl)quinazolin-4-yl]amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione
CID 142402558
6-[(6-amino-5-methoxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride
CID 118598679
ethyl 4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 142402596
6-[(4-methoxyphenyl)methoxy]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 118598862
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-[[2-[(2,4-dimethoxyphenyl)methylamino]-5-methyl-4-pyridinyl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione
CID 166877743
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
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
1,5-dimethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-pyrido[2,1-f][1,2,4]triazine-2,1'-cyclobutane]-4,8-dione
CID 146651036
(3R)-6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
CID 122634969

Frequently Asked Questions

What is the IUPAC name of 6-[(7-methoxyquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The IUPAC name of 6-[(7-methoxyquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (CID 135259180) is 6-[(7-methoxyquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.
What is the SMILES notation for 6-[(7-methoxyquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The canonical SMILES for 6-[(7-methoxyquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is COc1ccc2c(Nc3cc(C)c4n(c3=O)C3(CCCCC3)NC4=O)ncnc2c1.
What is the InChIKey of 6-[(7-methoxyquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The InChIKey is MEQNUBZEWIKJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-13-10-17(25-19-15-7-6-14(30-2)11-16(15)23-12-24-19)21(29)27-18(13)20(28)26-22(27)8-4-3-5-9-22/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,26,28)(H,23,24,25).
What are the key properties of 6-[(7-methoxyquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
6-[(7-methoxyquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione has a molecular weight of 405.46 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(7-methoxyquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is sourced from PubChem (CID 135259180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).