1'-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one

C20H20ClN5O2 — CID 155497083

IUPAC1'-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESCc1nc2c(c(=O)[nH]1)CCC21CCN(C(=O)c2cn3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C20H20ClN5O2/c1-12-22-17-14(18(27)23-12)4-5-20(17)6-8-25(9-7-20)19(28)15-11-26-10-13(21)2-3-16(26)24-15/h2-3,10-11H,4-9H2,1H3,(H,22,23,27)
InChIKeyBNJWDGIVANOIJM-UHFFFAOYSA-N
MW397.87 g/mol
LogP2.50
Rot. Bonds1

About 1'-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one

1'-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (PubChem CID 155497083) has the molecular formula C20H20ClN5O2 and a molecular weight of 397.87 g/mol. Its IUPAC name is 1'-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
PubChem CID155497083
Molecular FormulaC20H20ClN5O2
Molecular Weight397.87 g/mol
Exact Mass397.13
IUPAC Name1'-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESCc1nc2c(c(=O)[nH]1)CCC21CCN(C(=O)c2cn3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C20H20ClN5O2/c1-12-22-17-14(18(27)23-12)4-5-20(17)6-8-25(9-7-20)19(28)15-11-26-10-13(21)2-3-16(26)24-15/h2-3,10-11H,4-9H2,1H3,(H,22,23,27)
InChIKeyBNJWDGIVANOIJM-UHFFFAOYSA-N
XLogP2.50
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1'-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one 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

1'-(2-chloro-4-fluorobenzoyl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155501155
2-methyl-1'-[4-(tetrazol-1-yl)benzoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155494990
ethyl 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate
CID 42536529
2-tert-butyl-1'-(5-methyl-1,2-oxazole-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155506176
2-amino-1'-(4,6-dimethylpyrimidine-5-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155497945
8-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;formic acid
CID 155870802
(6-chloroimidazo[1,2-a]pyridin-2-yl)-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 95713723
(6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 56900534
1'-(3-chlorobenzoyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155494593
1'-(2-methylpyrazole-3-carbonyl)-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155508526
2-(2-tert-butyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-carbonyl)benzonitrile
CID 155505007
7-methyl-3-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 70708559

Frequently Asked Questions

What is the IUPAC name of 1'-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The IUPAC name of 1'-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (CID 155497083) is 1'-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The canonical SMILES for 1'-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is Cc1nc2c(c(=O)[nH]1)CCC21CCN(C(=O)c2cn3cc(Cl)ccc3n2)CC1.
What is the InChIKey of 1'-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The InChIKey is BNJWDGIVANOIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O2/c1-12-22-17-14(18(27)23-12)4-5-20(17)6-8-25(9-7-20)19(28)15-11-26-10-13(21)2-3-16(26)24-15/h2-3,10-11H,4-9H2,1H3,(H,22,23,27).
What are the key properties of 1'-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
1'-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one has a molecular weight of 397.87 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is sourced from PubChem (CID 155497083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).