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

C22H20N6O — CID 136681246

IUPAC2-pyridin-4-yl-7-[(1-pyridin-4-ylpyrrol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccncc2)nc2c1CCN(Cc1cccn1-c1ccncc1)C2
InChIInChI=1S/C22H20N6O/c29-22-19-7-13-27(14-18-2-1-12-28(18)17-5-10-24-11-6-17)15-20(19)25-21(26-22)16-3-8-23-9-4-16/h1-6,8-12H,7,13-15H2,(H,25,26,29)
InChIKeyHNGYTSCUUCMKID-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.58
Rot. Bonds4

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

2-pyridin-4-yl-7-[(1-pyridin-4-ylpyrrol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136681246) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-pyridin-4-yl-7-[(1-pyridin-4-ylpyrrol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-pyridin-4-yl-7-[(1-pyridin-4-ylpyrrol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136681246
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC Name2-pyridin-4-yl-7-[(1-pyridin-4-ylpyrrol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccncc2)nc2c1CCN(Cc1cccn1-c1ccncc1)C2
InChIInChI=1S/C22H20N6O/c29-22-19-7-13-27(14-18-2-1-12-28(18)17-5-10-24-11-6-17)15-20(19)25-21(26-22)16-3-8-23-9-4-16/h1-6,8-12H,7,13-15H2,(H,25,26,29)
InChIKeyHNGYTSCUUCMKID-UHFFFAOYSA-N
XLogP2.58
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-pyridin-4-yl-7-[(4-pyrrolidin-1-ylphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681205
2-piperidin-1-yl-7-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135719780
7-[(3-fluoro-2-hydroxyphenyl)methyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865745
7-(1-benzothiophen-2-ylmethyl)-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135866908
2-pyridin-3-yl-7-(pyridin-4-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135867269
7-[(2,5-dimethylphenyl)methyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135863928
7-(cyclopentylmethyl)-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135866088
7-[(5-chloro-2-hydroxyphenyl)methyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681202
7-[(2-chloro-4-hydroxyphenyl)methyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864248
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
2-pyridin-2-yl-6-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136691341
7-[(2-fluoro-5-methoxyphenyl)methyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864568

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-7-[(1-pyridin-4-ylpyrrol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-pyridin-4-yl-7-[(1-pyridin-4-ylpyrrol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136681246) is 2-pyridin-4-yl-7-[(1-pyridin-4-ylpyrrol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-pyridin-4-yl-7-[(1-pyridin-4-ylpyrrol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-pyridin-4-yl-7-[(1-pyridin-4-ylpyrrol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=c1[nH]c(-c2ccncc2)nc2c1CCN(Cc1cccn1-c1ccncc1)C2.
What is the InChIKey of 2-pyridin-4-yl-7-[(1-pyridin-4-ylpyrrol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is HNGYTSCUUCMKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c29-22-19-7-13-27(14-18-2-1-12-28(18)17-5-10-24-11-6-17)15-20(19)25-21(26-22)16-3-8-23-9-4-16/h1-6,8-12H,7,13-15H2,(H,25,26,29).
What are the key properties of 2-pyridin-4-yl-7-[(1-pyridin-4-ylpyrrol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-pyridin-4-yl-7-[(1-pyridin-4-ylpyrrol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 384.44 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-7-[(1-pyridin-4-ylpyrrol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136681246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).