4-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

C22H25N7O — CID 171389451

IUPAC4-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESO=C1NCCc2c(NC3CCN(Cc4ncc[nH]4)CC3)nc(-c3ccccc3)nc21
InChIInChI=1S/C22H25N7O/c30-22-19-17(6-9-25-22)21(28-20(27-19)15-4-2-1-3-5-15)26-16-7-12-29(13-8-16)14-18-23-10-11-24-18/h1-5,10-11,16H,6-9,12-14H2,(H,23,24)(H,25,30)(H,26,27,28)
InChIKeyRFHWYJKCGKNPSJ-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.23
Rot. Bonds5

About 4-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

4-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (PubChem CID 171389451) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 4-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.

Molecular Properties

Compound Name4-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
PubChem CID171389451
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name4-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESO=C1NCCc2c(NC3CCN(Cc4ncc[nH]4)CC3)nc(-c3ccccc3)nc21
InChIInChI=1S/C22H25N7O/c30-22-19-17(6-9-25-22)21(28-20(27-19)15-4-2-1-3-5-15)26-16-7-12-29(13-8-16)14-18-23-10-11-24-18/h1-5,10-11,16H,6-9,12-14H2,(H,23,24)(H,25,30)(H,26,27,28)
InChIKeyRFHWYJKCGKNPSJ-UHFFFAOYSA-N
XLogP2.23
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(1-acetylpiperidin-4-yl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171911640
4-N-cyclobutyl-2-N-cyclopropyl-7-(1H-imidazol-2-ylmethyl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-2,4-diamine
CID 56894378
4-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methylamino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171386121
2-phenyl-4-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387661
2-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171906541
4-(2-chlorophenoxy)-1-(1H-imidazol-2-ylmethyl)piperidine
CID 56902522
4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-(2-phenylethyl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171389388
N-cyclopropyl-7-methylsulfonyl-2-phenyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 97413484
7-(1H-benzimidazol-2-ylmethyl)-N-cyclopropyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 70709500
N-(1-benzylpyrrolidin-3-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56884802
2-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyridine
CID 95816983
2-phenyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171386787

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The IUPAC name of 4-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (CID 171389451) is 4-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.
What is the SMILES notation for 4-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The canonical SMILES for 4-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is O=C1NCCc2c(NC3CCN(Cc4ncc[nH]4)CC3)nc(-c3ccccc3)nc21.
What is the InChIKey of 4-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The InChIKey is RFHWYJKCGKNPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c30-22-19-17(6-9-25-22)21(28-20(27-19)15-4-2-1-3-5-15)26-16-7-12-29(13-8-16)14-18-23-10-11-24-18/h1-5,10-11,16H,6-9,12-14H2,(H,23,24)(H,25,30)(H,26,27,28).
What are the key properties of 4-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
4-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one has a molecular weight of 403.49 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is sourced from PubChem (CID 171389451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).