7-[(5-phenyl-2H-triazol-4-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C21H19N7O — CID 136681077

IUPAC7-[(5-phenyl-2H-triazol-4-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccn2)nc2c1CCN(Cc1n[nH]nc1-c1ccccc1)C2
InChIInChI=1S/C21H19N7O/c29-21-15-9-11-28(12-17(15)23-20(24-21)16-8-4-5-10-22-16)13-18-19(26-27-25-18)14-6-2-1-3-7-14/h1-8,10H,9,11-13H2,(H,23,24,29)(H,25,26,27)
InChIKeyQRKNXJCZVJMNFO-UHFFFAOYSA-N
MW385.43 g/mol
LogP2.18
Rot. Bonds4

About 7-[(5-phenyl-2H-triazol-4-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-[(5-phenyl-2H-triazol-4-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136681077) has the molecular formula C21H19N7O and a molecular weight of 385.43 g/mol. Its IUPAC name is 7-[(5-phenyl-2H-triazol-4-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(5-phenyl-2H-triazol-4-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136681077
Molecular FormulaC21H19N7O
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC Name7-[(5-phenyl-2H-triazol-4-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccn2)nc2c1CCN(Cc1n[nH]nc1-c1ccccc1)C2
InChIInChI=1S/C21H19N7O/c29-21-15-9-11-28(12-17(15)23-20(24-21)16-8-4-5-10-22-16)13-18-19(26-27-25-18)14-6-2-1-3-7-14/h1-8,10H,9,11-13H2,(H,23,24,29)(H,25,26,27)
InChIKeyQRKNXJCZVJMNFO-UHFFFAOYSA-N
XLogP2.18
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-[(2,6-dimethylphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864071
7-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681056
7-[(2,5-difluorophenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135863851
7-[(2-hydroxy-3-methylphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864691
7-[(3-fluoro-4-methylphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865688
7-[(3-chloro-4-methylphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865469
2-pyridin-2-yl-7-[[4-(trifluoromethoxy)phenyl]methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681023
7-[(3-chloro-4-methoxyphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865449
7-[(1-ethylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681048
7-[[1-(3-methyl-2-pyridinyl)pyrrol-2-yl]methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 155900780
7-(2-chloroethyl)-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135866067
7-[(5-chloro-1H-indol-3-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135866631

Frequently Asked Questions

What is the IUPAC name of 7-[(5-phenyl-2H-triazol-4-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[(5-phenyl-2H-triazol-4-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136681077) is 7-[(5-phenyl-2H-triazol-4-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[(5-phenyl-2H-triazol-4-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[(5-phenyl-2H-triazol-4-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=c1[nH]c(-c2ccccn2)nc2c1CCN(Cc1n[nH]nc1-c1ccccc1)C2.
What is the InChIKey of 7-[(5-phenyl-2H-triazol-4-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is QRKNXJCZVJMNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O/c29-21-15-9-11-28(12-17(15)23-20(24-21)16-8-4-5-10-22-16)13-18-19(26-27-25-18)14-6-2-1-3-7-14/h1-8,10H,9,11-13H2,(H,23,24,29)(H,25,26,27).
What are the key properties of 7-[(5-phenyl-2H-triazol-4-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-[(5-phenyl-2H-triazol-4-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 385.43 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-phenyl-2H-triazol-4-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136681077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).