3-(1H-indol-4-ylmethyl)pyrido[2,3-d]pyrimidin-4-one

C16H12N4O — CID 39794219

IUPAC3-(1H-indol-4-ylmethyl)pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1c2cccnc2ncn1Cc1cccc2[nH]ccc12
InChIInChI=1S/C16H12N4O/c21-16-13-4-2-7-18-15(13)19-10-20(16)9-11-3-1-5-14-12(11)6-8-17-14/h1-8,10,17H,9H2
InChIKeyPSEWFUONLRCLAL-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.32
Rot. Bonds2

About 3-(1H-indol-4-ylmethyl)pyrido[2,3-d]pyrimidin-4-one

3-(1H-indol-4-ylmethyl)pyrido[2,3-d]pyrimidin-4-one (PubChem CID 39794219) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-(1H-indol-4-ylmethyl)pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(1H-indol-4-ylmethyl)pyrido[2,3-d]pyrimidin-4-one
PubChem CID39794219
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name3-(1H-indol-4-ylmethyl)pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1c2cccnc2ncn1Cc1cccc2[nH]ccc12
InChIInChI=1S/C16H12N4O/c21-16-13-4-2-7-18-15(13)19-10-20(16)9-11-3-1-5-14-12(11)6-8-17-14/h1-8,10,17H,9H2
InChIKeyPSEWFUONLRCLAL-UHFFFAOYSA-N
XLogP2.32
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one
CID 10825717
3-[(2,6-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one
CID 39754045
3-[(5-chloro-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-4-one
CID 154754059
3-[[3-[3-(dimethylamino)phenyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 121275764
3-[3-(2-bromophenyl)propyl]pyrido[2,3-d]pyrimidin-4-one
CID 119051463
3-[(2,6-difluoro-4-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one
CID 121275669
2-(1H-indol-4-ylmethylamino)-7-methyl-1H-purin-6-one
CID 167966256
3-[[4-(2,3-dihydro-1H-indazol-6-yl)-2-fluorophenyl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 123792141
3-[2-(azepan-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidin-4-one
CID 18165495
3-[[4-(3-methyl-2,3-dihydro-1H-indazol-6-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 123427419
3-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 72735142
3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 56801915

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-4-ylmethyl)pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-(1H-indol-4-ylmethyl)pyrido[2,3-d]pyrimidin-4-one (CID 39794219) is 3-(1H-indol-4-ylmethyl)pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-(1H-indol-4-ylmethyl)pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-(1H-indol-4-ylmethyl)pyrido[2,3-d]pyrimidin-4-one is O=c1c2cccnc2ncn1Cc1cccc2[nH]ccc12.
What is the InChIKey of 3-(1H-indol-4-ylmethyl)pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is PSEWFUONLRCLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c21-16-13-4-2-7-18-15(13)19-10-20(16)9-11-3-1-5-14-12(11)6-8-17-14/h1-8,10,17H,9H2.
What are the key properties of 3-(1H-indol-4-ylmethyl)pyrido[2,3-d]pyrimidin-4-one?
3-(1H-indol-4-ylmethyl)pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 276.30 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-4-ylmethyl)pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 39794219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).