4-(8-propyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid

C20H22N6O2 — CID 86716680

IUPAC4-(8-propyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid
SMILESCCCc1nccc2c(N3CCN(C(=O)O)CC3)nc(-c3ccncc3)nc12
InChIInChI=1S/C20H22N6O2/c1-2-3-16-17-15(6-9-22-16)19(25-10-12-26(13-11-25)20(27)28)24-18(23-17)14-4-7-21-8-5-14/h4-9H,2-3,10-13H2,1H3,(H,27,28)
InChIKeyGGOOCIKWPGWEII-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.84
Rot. Bonds4

About 4-(8-propyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid

4-(8-propyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid (PubChem CID 86716680) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 4-(8-propyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(8-propyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid
PubChem CID86716680
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name4-(8-propyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid
SMILESCCCc1nccc2c(N3CCN(C(=O)O)CC3)nc(-c3ccncc3)nc12
InChIInChI=1S/C20H22N6O2/c1-2-3-16-17-15(6-9-22-16)19(25-10-12-26(13-11-25)20(27)28)24-18(23-17)14-4-7-21-8-5-14/h4-9H,2-3,10-13H2,1H3,(H,27,28)
InChIKeyGGOOCIKWPGWEII-UHFFFAOYSA-N
XLogP2.84
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(8-propyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid with MolForge

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Related Compounds

4-[2-(2-chloro-4-pyridinyl)pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylic acid
CID 151425197
tert-butyl 8-(8-chloro-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 167233063
4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane-1-carboxylic acid
CID 67362388
4-(1-tert-butyl-5-fluoro-4-pyridin-4-ylpyrazol-3-yl)piperazine-1-carboxylic acid
CID 141026658
4-(5-ethylpyrimidin-4-yl)piperazine-1-carboxylic acid
CID 166794104
ethyl 4-(2-pyridin-3-ylquinazolin-4-yl)piperazine-1-carboxylate
CID 4880874
4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine-8-carbonitrile
CID 167233268
1-[4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 4559805
2,2-dimethyl-1-[4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 133310194
(2R)-1-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-yl]propan-2-ol
CID 95150705
4-[3-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]piperazine-1-carboxylic acid
CID 68595845
4-[4-(pyridin-4-ylmethoxy)-1,2,5-thiadiazol-3-yl]piperazine-1-carboxylic acid
CID 69493078

Frequently Asked Questions

What is the IUPAC name of 4-(8-propyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(8-propyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid (CID 86716680) is 4-(8-propyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(8-propyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(8-propyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid is CCCc1nccc2c(N3CCN(C(=O)O)CC3)nc(-c3ccncc3)nc12.
What is the InChIKey of 4-(8-propyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid?
The InChIKey is GGOOCIKWPGWEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-2-3-16-17-15(6-9-22-16)19(25-10-12-26(13-11-25)20(27)28)24-18(23-17)14-4-7-21-8-5-14/h4-9H,2-3,10-13H2,1H3,(H,27,28).
What are the key properties of 4-(8-propyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid?
4-(8-propyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid has a molecular weight of 378.44 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-propyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 86716680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).