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

C27H31N5O4 — CID 166877743

IUPAC6-[[2-[(2,4-dimethoxyphenyl)methylamino]-5-methyl-4-pyridinyl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione
SMILESCOc1ccc(CNc2cc(Nc3cc(C)c4n(c3=O)C3(CCCC3)NC4=O)c(C)cn2)c(OC)c1
InChIInChI=1S/C27H31N5O4/c1-16-11-21(26(34)32-24(16)25(33)31-27(32)9-5-6-10-27)30-20-13-23(28-14-17(20)2)29-15-18-7-8-19(35-3)12-22(18)36-4/h7-8,11-14H,5-6,9-10,15H2,1-4H3,(H,31,33)(H2,28,29,30)
InChIKeyMTMZXKWDMKWHTA-UHFFFAOYSA-N
MW489.58 g/mol
LogP4.20
Rot. Bonds7

About 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

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 (PubChem CID 166877743) has the molecular formula C27H31N5O4 and a molecular weight of 489.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[[2-[(2,4-dimethoxyphenyl)methylamino]-5-methyl-4-pyridinyl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione
PubChem CID166877743
Molecular FormulaC27H31N5O4
Molecular Weight489.58 g/mol
Exact Mass489.24
IUPAC Name6-[[2-[(2,4-dimethoxyphenyl)methylamino]-5-methyl-4-pyridinyl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione
SMILESCOc1ccc(CNc2cc(Nc3cc(C)c4n(c3=O)C3(CCCC3)NC4=O)c(C)cn2)c(OC)c1
InChIInChI=1S/C27H31N5O4/c1-16-11-21(26(34)32-24(16)25(33)31-27(32)9-5-6-10-27)30-20-13-23(28-14-17(20)2)29-15-18-7-8-19(35-3)12-22(18)36-4/h7-8,11-14H,5-6,9-10,15H2,1-4H3,(H,31,33)(H2,28,29,30)
InChIKeyMTMZXKWDMKWHTA-UHFFFAOYSA-N
XLogP4.20
TPSA106.51 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

6-[(2,4-dimethoxyphenyl)methylamino]-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyridine-3-carboxylic acid
CID 155035457
6-[[5-(dihydroxymethyl)-2-[(2,4-dimethoxyphenyl)methylamino]-4-pyridinyl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 166877639
6-[(7-methoxyquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 135259180
6-[(4-methoxyphenyl)methoxy]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 118598862
N-[(2,4-dimethoxyphenyl)methyl]-4,5-diiodopyridin-2-amine
CID 167328439
6-[(6-amino-2-oxo-1H-pyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 118604458
6-[[6-(ethylamino)pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
CID 172572670
8-methyl-6-(quinazolin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione
CID 142402610
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-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
CID 162431069
ethyl 4-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate
CID 154640277
ethyl 5-methyl-4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 135259196

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(CNc2cc(Nc3cc(C)c4n(c3=O)C3(CCCC3)NC4=O)c(C)cn2)c(OC)c1.
What is the InChIKey of 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?
The InChIKey is MTMZXKWDMKWHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O4/c1-16-11-21(26(34)32-24(16)25(33)31-27(32)9-5-6-10-27)30-20-13-23(28-14-17(20)2)29-15-18-7-8-19(35-3)12-22(18)36-4/h7-8,11-14H,5-6,9-10,15H2,1-4H3,(H,31,33)(H2,28,29,30).
What are the key properties of 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?
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 has a molecular weight of 489.58 g/mol, XLogP of 4.20, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166877743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).