6-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C20H18ClN7O — CID 135946051

IUPAC6-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2ccc(Cl)cn2c1CN1CCc2nc(-c3cncnc3)[nH]c(=O)c2C1
InChIInChI=1S/C20H18ClN7O/c1-12-17(28-8-14(21)2-3-18(28)24-12)10-27-5-4-16-15(9-27)20(29)26-19(25-16)13-6-22-11-23-7-13/h2-3,6-8,11H,4-5,9-10H2,1H3,(H,25,26,29)
InChIKeyHKEZJSQZPDFBSP-UHFFFAOYSA-N
MW407.87 g/mol
LogP2.39
Rot. Bonds3

About 6-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135946051) has the molecular formula C20H18ClN7O and a molecular weight of 407.87 g/mol. Its IUPAC name is 6-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135946051
Molecular FormulaC20H18ClN7O
Molecular Weight407.87 g/mol
Exact Mass407.13
IUPAC Name6-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2ccc(Cl)cn2c1CN1CCc2nc(-c3cncnc3)[nH]c(=O)c2C1
InChIInChI=1S/C20H18ClN7O/c1-12-17(28-8-14(21)2-3-18(28)24-12)10-27-5-4-16-15(9-27)20(29)26-19(25-16)13-6-22-11-23-7-13/h2-3,6-8,11H,4-5,9-10H2,1H3,(H,25,26,29)
InChIKeyHKEZJSQZPDFBSP-UHFFFAOYSA-N
XLogP2.39
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.87
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one with MolForge

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Related Compounds

6-[(4-ethylphenyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919653
6-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943827
6-[(3,5-dichloro-4-pyridinyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945131
6-[(4,5-dimethylthiophen-2-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943591
6-[(2,3-dihydroxyphenyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916679
6-[(4-fluoro-3-methoxyphenyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919733
6-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946331
6-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944351
6-[(4-butoxyphenyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919374
6-(pyrazin-2-ylmethyl)-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943631
6-[(5-iodofuran-2-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862423
2-pyridin-4-yl-6-(pyrimidin-5-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944886

Frequently Asked Questions

What is the IUPAC name of 6-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135946051) is 6-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1nc2ccc(Cl)cn2c1CN1CCc2nc(-c3cncnc3)[nH]c(=O)c2C1.
What is the InChIKey of 6-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is HKEZJSQZPDFBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN7O/c1-12-17(28-8-14(21)2-3-18(28)24-12)10-27-5-4-16-15(9-27)20(29)26-19(25-16)13-6-22-11-23-7-13/h2-3,6-8,11H,4-5,9-10H2,1H3,(H,25,26,29).
What are the key properties of 6-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 407.87 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135946051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).