7-(1H-indol-3-ylmethyl)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C21H19N5 — CID 24931398

IUPAC7-(1H-indol-3-ylmethyl)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESc1ccc2c(CN3CCc4cnc(-c5ccncc5)nc4C3)c[nH]c2c1
InChIInChI=1S/C21H19N5/c1-2-4-19-18(3-1)17(12-23-19)13-26-10-7-16-11-24-21(25-20(16)14-26)15-5-8-22-9-6-15/h1-6,8-9,11-12,23H,7,10,13-14H2
InChIKeyPLPNGZLFVZDTJQ-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.58
Rot. Bonds3

About 7-(1H-indol-3-ylmethyl)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

7-(1H-indol-3-ylmethyl)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 24931398) has the molecular formula C21H19N5 and a molecular weight of 341.42 g/mol. Its IUPAC name is 7-(1H-indol-3-ylmethyl)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name7-(1H-indol-3-ylmethyl)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID24931398
Molecular FormulaC21H19N5
Molecular Weight341.42 g/mol
Exact Mass341.16
IUPAC Name7-(1H-indol-3-ylmethyl)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESc1ccc2c(CN3CCc4cnc(-c5ccncc5)nc4C3)c[nH]c2c1
InChIInChI=1S/C21H19N5/c1-2-4-19-18(3-1)17(12-23-19)13-26-10-7-16-11-24-21(25-20(16)14-26)15-5-8-22-9-6-15/h1-6,8-9,11-12,23H,7,10,13-14H2
InChIKeyPLPNGZLFVZDTJQ-UHFFFAOYSA-N
XLogP3.58
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(1H-indol-3-ylmethyl)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine with MolForge

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Related Compounds

7-[(5-bromo-1H-indol-3-yl)methyl]-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931020
7-[(5-fluoro-1H-indol-3-yl)methyl]-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931062
7-[(5-methyl-1H-indol-3-yl)methyl]-2-(4-methylphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931103
7-[(6-bromo-1H-indol-3-yl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931189
4-[7-(1H-indol-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]aniline
CID 24931406
2-pyridin-4-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931692
4-[7-[(5-fluoro-1H-indol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]aniline
CID 24931049
7-ethyl-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930411
2-phenyl-7-[(2-phenyl-1H-indol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930765
2-pyridin-3-yl-6-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913283
6-[(6-fluoro-1H-indol-3-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909566
2-(4-chlorophenyl)-7-[(4-nitro-1H-indol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930947

Frequently Asked Questions

What is the IUPAC name of 7-(1H-indol-3-ylmethyl)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 7-(1H-indol-3-ylmethyl)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 24931398) is 7-(1H-indol-3-ylmethyl)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 7-(1H-indol-3-ylmethyl)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 7-(1H-indol-3-ylmethyl)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is c1ccc2c(CN3CCc4cnc(-c5ccncc5)nc4C3)c[nH]c2c1.
What is the InChIKey of 7-(1H-indol-3-ylmethyl)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is PLPNGZLFVZDTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5/c1-2-4-19-18(3-1)17(12-23-19)13-26-10-7-16-11-24-21(25-20(16)14-26)15-5-8-22-9-6-15/h1-6,8-9,11-12,23H,7,10,13-14H2.
What are the key properties of 7-(1H-indol-3-ylmethyl)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
7-(1H-indol-3-ylmethyl)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 341.42 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-indol-3-ylmethyl)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 24931398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).