4-[2-methyl-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-pyridinyl]piperazin-2-one

C21H23N7OS — CID 142340816

IUPAC4-[2-methyl-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-pyridinyl]piperazin-2-one
SMILESCc1cc(N2CCNC(=O)C2)cc(N2CCc3nc(-c4cscn4)ncc3C2C)n1
InChIInChI=1S/C21H23N7OS/c1-13-7-15(27-6-4-22-20(29)10-27)8-19(25-13)28-5-3-17-16(14(28)2)9-23-21(26-17)18-11-30-12-24-18/h7-9,11-12,14H,3-6,10H2,1-2H3,(H,22,29)
InChIKeyBUBVQFUBEPONHW-UHFFFAOYSA-N
MW421.53 g/mol
LogP2.36
Rot. Bonds3

About 4-[2-methyl-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-pyridinyl]piperazin-2-one

4-[2-methyl-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-pyridinyl]piperazin-2-one (PubChem CID 142340816) has the molecular formula C21H23N7OS and a molecular weight of 421.53 g/mol. Its IUPAC name is 4-[2-methyl-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-pyridinyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-methyl-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-pyridinyl]piperazin-2-one
PubChem CID142340816
Molecular FormulaC21H23N7OS
Molecular Weight421.53 g/mol
Exact Mass421.17
IUPAC Name4-[2-methyl-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-pyridinyl]piperazin-2-one
SMILESCc1cc(N2CCNC(=O)C2)cc(N2CCc3nc(-c4cscn4)ncc3C2C)n1
InChIInChI=1S/C21H23N7OS/c1-13-7-15(27-6-4-22-20(29)10-27)8-19(25-13)28-5-3-17-16(14(28)2)9-23-21(26-17)18-11-30-12-24-18/h7-9,11-12,14H,3-6,10H2,1-2H3,(H,22,29)
InChIKeyBUBVQFUBEPONHW-UHFFFAOYSA-N
XLogP2.36
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[2-methyl-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-pyridinyl]piperazin-2-one with MolForge

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Related Compounds

4-[6-[4-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
CID 142340826
4-[6-(4,6-difluoro-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
CID 139461644
4-[6-[6-(2,2-difluoroethoxy)-4-methyl-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
CID 142340807
1-[3-[[2-fluoro-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-pyridinyl]oxy]propyl]pyrrolidin-2-one;1-[3-[[6-fluoro-4-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]pyrrolidin-2-one
CID 158601169
6-(4-methoxy-6-methyl-2-pyridinyl)-5-methyl-2-(1H-pyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 142340822
6-[2-(3-methoxypyrrolidin-1-yl)-6-methyl-4-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 145427356
6-[6-fluoro-4-(4-methylsulfanylpiperazin-1-yl)-2-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 146519308
[1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]azetidin-3-yl]methanol
CID 139367488
3-[6-[6-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,2,5-thiadiazole
CID 175702696
2-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-1,2-thiazolidine 1,1-dioxide
CID 139367430
6-(4-methoxy-6-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carbonitrile
CID 142340824
4-acetyl-1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]piperazin-2-one
CID 139367507

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-pyridinyl]piperazin-2-one?
The IUPAC name of 4-[2-methyl-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-pyridinyl]piperazin-2-one (CID 142340816) is 4-[2-methyl-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-pyridinyl]piperazin-2-one.
What is the SMILES notation for 4-[2-methyl-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-pyridinyl]piperazin-2-one?
The canonical SMILES for 4-[2-methyl-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-pyridinyl]piperazin-2-one is Cc1cc(N2CCNC(=O)C2)cc(N2CCc3nc(-c4cscn4)ncc3C2C)n1.
What is the InChIKey of 4-[2-methyl-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-pyridinyl]piperazin-2-one?
The InChIKey is BUBVQFUBEPONHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7OS/c1-13-7-15(27-6-4-22-20(29)10-27)8-19(25-13)28-5-3-17-16(14(28)2)9-23-21(26-17)18-11-30-12-24-18/h7-9,11-12,14H,3-6,10H2,1-2H3,(H,22,29).
What are the key properties of 4-[2-methyl-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-pyridinyl]piperazin-2-one?
4-[2-methyl-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-pyridinyl]piperazin-2-one has a molecular weight of 421.53 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-pyridinyl]piperazin-2-one is sourced from PubChem (CID 142340816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).