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

C27H30N4O — CID 71244837

IUPAC4-methoxy-2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1nc(-c2cccc3[nH]cc(C)c23)nc2c1CN(c1cc(C(C)C)ccc1C)CC2
InChIInChI=1S/C27H30N4O/c1-16(2)19-10-9-17(3)24(13-19)31-12-11-22-21(15-31)27(32-5)30-26(29-22)20-7-6-8-23-25(20)18(4)14-28-23/h6-10,13-14,16,28H,11-12,15H2,1-5H3
InChIKeyDSWALHNPUGSBMB-UHFFFAOYSA-N
MW426.56 g/mol
LogP5.94
Rot. Bonds4

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

4-methoxy-2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 71244837) has the molecular formula C27H30N4O and a molecular weight of 426.56 g/mol. Its IUPAC name is 4-methoxy-2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID71244837
Molecular FormulaC27H30N4O
Molecular Weight426.56 g/mol
Exact Mass426.24
IUPAC Name4-methoxy-2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1nc(-c2cccc3[nH]cc(C)c23)nc2c1CN(c1cc(C(C)C)ccc1C)CC2
InChIInChI=1S/C27H30N4O/c1-16(2)19-10-9-17(3)24(13-19)31-12-11-22-21(15-31)27(32-5)30-26(29-22)20-7-6-8-23-25(20)18(4)14-28-23/h6-10,13-14,16,28H,11-12,15H2,1-5H3
InChIKeyDSWALHNPUGSBMB-UHFFFAOYSA-N
XLogP5.94
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 4-methoxy-2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 71244837) is 4-methoxy-2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-methoxy-2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-methoxy-2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1nc(-c2cccc3[nH]cc(C)c23)nc2c1CN(c1cc(C(C)C)ccc1C)CC2.
What is the InChIKey of 4-methoxy-2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is DSWALHNPUGSBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O/c1-16(2)19-10-9-17(3)24(13-19)31-12-11-22-21(15-31)27(32-5)30-26(29-22)20-7-6-8-23-25(20)18(4)14-28-23/h6-10,13-14,16,28H,11-12,15H2,1-5H3.
What are the key properties of 4-methoxy-2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
4-methoxy-2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 426.56 g/mol, XLogP of 5.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 71244837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).