2-amino-6-[(5-phenylmethoxy-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C23H23N5O2 — CID 135861360

IUPAC2-amino-6-[(5-phenylmethoxy-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESNc1nc2c(c(=O)[nH]1)CN(Cc1c[nH]c3ccc(OCc4ccccc4)cc13)CC2
InChIInChI=1S/C23H23N5O2/c24-23-26-21-8-9-28(13-19(21)22(29)27-23)12-16-11-25-20-7-6-17(10-18(16)20)30-14-15-4-2-1-3-5-15/h1-7,10-11,25H,8-9,12-14H2,(H3,24,26,27,29)
InChIKeyVVJUZPQSPCVOAN-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.97
Rot. Bonds5

About 2-amino-6-[(5-phenylmethoxy-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-amino-6-[(5-phenylmethoxy-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135861360) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-amino-6-[(5-phenylmethoxy-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-[(5-phenylmethoxy-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135861360
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name2-amino-6-[(5-phenylmethoxy-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESNc1nc2c(c(=O)[nH]1)CN(Cc1c[nH]c3ccc(OCc4ccccc4)cc13)CC2
InChIInChI=1S/C23H23N5O2/c24-23-26-21-8-9-28(13-19(21)22(29)27-23)12-16-11-25-20-7-6-17(10-18(16)20)30-14-15-4-2-1-3-5-15/h1-7,10-11,25H,8-9,12-14H2,(H3,24,26,27,29)
InChIKeyVVJUZPQSPCVOAN-UHFFFAOYSA-N
XLogP2.97
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-6-[(5-phenylmethoxy-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861371
2-(4-chlorophenyl)-7-[(5-phenylmethoxy-1H-indol-3-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135866581
2-amino-6-[(4-phenoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135920066
6-[(5-methoxy-1H-indol-3-yl)methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861233
6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862360
2-amino-6-[(2,4-dihydroxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916973
7-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135866667
2-amino-6-[(2-fluoro-5-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917853
6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862363
2-amino-6-[(3,5-dimethoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918530
2-amino-6-[(4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861400
2-amino-6-[(4-fluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919807

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(5-phenylmethoxy-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-[(5-phenylmethoxy-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135861360) is 2-amino-6-[(5-phenylmethoxy-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-[(5-phenylmethoxy-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-[(5-phenylmethoxy-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Nc1nc2c(c(=O)[nH]1)CN(Cc1c[nH]c3ccc(OCc4ccccc4)cc13)CC2.
What is the InChIKey of 2-amino-6-[(5-phenylmethoxy-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is VVJUZPQSPCVOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c24-23-26-21-8-9-28(13-19(21)22(29)27-23)12-16-11-25-20-7-6-17(10-18(16)20)30-14-15-4-2-1-3-5-15/h1-7,10-11,25H,8-9,12-14H2,(H3,24,26,27,29).
What are the key properties of 2-amino-6-[(5-phenylmethoxy-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-amino-6-[(5-phenylmethoxy-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 401.47 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(5-phenylmethoxy-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135861360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).