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

C20H24N4 — CID 24908982

IUPAC6-[(2-methyl-1H-indol-3-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCCc1ncc2c(n1)CCN(Cc1c(C)[nH]c3ccccc13)C2
InChIInChI=1S/C20H24N4/c1-3-6-20-21-11-15-12-24(10-9-18(15)23-20)13-17-14(2)22-19-8-5-4-7-16(17)19/h4-5,7-8,11,22H,3,6,9-10,12-13H2,1-2H3
InChIKeyUHULDIOPLBJPBJ-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.78
Rot. Bonds4

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

6-[(2-methyl-1H-indol-3-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24908982) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 6-[(2-methyl-1H-indol-3-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(2-methyl-1H-indol-3-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24908982
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name6-[(2-methyl-1H-indol-3-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCCc1ncc2c(n1)CCN(Cc1c(C)[nH]c3ccccc13)C2
InChIInChI=1S/C20H24N4/c1-3-6-20-21-11-15-12-24(10-9-18(15)23-20)13-17-14(2)22-19-8-5-4-7-16(17)19/h4-5,7-8,11,22H,3,6,9-10,12-13H2,1-2H3
InChIKeyUHULDIOPLBJPBJ-UHFFFAOYSA-N
XLogP3.78
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

6-[(2,6-dimethylphenyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928995
6-(2H-indazol-3-ylmethyl)-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914838
6-[(2-methyl-1H-indol-3-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861323
6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909399
2-propyl-6-[(2,3,6-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928197
6-[(2,3-dimethylimidazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915783
6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913578
6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912003
6-[(6-chloro-2-methyl-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916560
6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912612
6-[(2,3-dimethoxyphenyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928302
2-propyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929877

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methyl-1H-indol-3-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(2-methyl-1H-indol-3-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24908982) is 6-[(2-methyl-1H-indol-3-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(2-methyl-1H-indol-3-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(2-methyl-1H-indol-3-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCCc1ncc2c(n1)CCN(Cc1c(C)[nH]c3ccccc13)C2.
What is the InChIKey of 6-[(2-methyl-1H-indol-3-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is UHULDIOPLBJPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-3-6-20-21-11-15-12-24(10-9-18(15)23-20)13-17-14(2)22-19-8-5-4-7-16(17)19/h4-5,7-8,11,22H,3,6,9-10,12-13H2,1-2H3.
What are the key properties of 6-[(2-methyl-1H-indol-3-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(2-methyl-1H-indol-3-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 320.44 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methyl-1H-indol-3-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24908982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).