6-(5-cyclopropyl-2-methylphenyl)-4-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-(3-methyl-1H-indol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C34H41N5O — CID 71240590

IUPAC6-(5-cyclopropyl-2-methylphenyl)-4-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-(3-methyl-1H-indol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCO[C@H]1CCN(c2nc(-c3cccc4[nH]cc(C)c34)nc3c2CN(c2cc(C4CC4)ccc2C)CC3)CC1(C)C
InChIInChI=1S/C34H41N5O/c1-21-9-10-24(23-11-12-23)17-29(21)38-15-13-27-26(19-38)33(39-16-14-30(40-5)34(3,4)20-39)37-32(36-27)25-7-6-8-28-31(25)22(2)18-35-28/h6-10,17-18,23,30,35H,11-16,19-20H2,1-5H3/t30-/m0/s1
InChIKeyJJILCQFFGZAOOK-PMERELPUSA-N
MW535.74 g/mol
LogP6.93
Rot. Bonds5

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

6-(5-cyclopropyl-2-methylphenyl)-4-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-(3-methyl-1H-indol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 71240590) has the molecular formula C34H41N5O and a molecular weight of 535.74 g/mol. Its IUPAC name is 6-(5-cyclopropyl-2-methylphenyl)-4-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-(3-methyl-1H-indol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(5-cyclopropyl-2-methylphenyl)-4-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-(3-methyl-1H-indol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID71240590
Molecular FormulaC34H41N5O
Molecular Weight535.74 g/mol
Exact Mass535.33
IUPAC Name6-(5-cyclopropyl-2-methylphenyl)-4-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-(3-methyl-1H-indol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCO[C@H]1CCN(c2nc(-c3cccc4[nH]cc(C)c34)nc3c2CN(c2cc(C4CC4)ccc2C)CC3)CC1(C)C
InChIInChI=1S/C34H41N5O/c1-21-9-10-24(23-11-12-23)17-29(21)38-15-13-27-26(19-38)33(39-16-14-30(40-5)34(3,4)20-39)37-32(36-27)25-7-6-8-28-31(25)22(2)18-35-28/h6-10,17-18,23,30,35H,11-16,19-20H2,1-5H3/t30-/m0/s1
InChIKeyJJILCQFFGZAOOK-PMERELPUSA-N
XLogP6.93
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.74
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-cyclopropyl-2-methylphenyl)-4-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-(3-methyl-1H-indol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(5-cyclopropyl-2-methylphenyl)-4-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-(3-methyl-1H-indol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 71240590) is 6-(5-cyclopropyl-2-methylphenyl)-4-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-(3-methyl-1H-indol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(5-cyclopropyl-2-methylphenyl)-4-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-(3-methyl-1H-indol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(5-cyclopropyl-2-methylphenyl)-4-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-(3-methyl-1H-indol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CO[C@H]1CCN(c2nc(-c3cccc4[nH]cc(C)c34)nc3c2CN(c2cc(C4CC4)ccc2C)CC3)CC1(C)C.
What is the InChIKey of 6-(5-cyclopropyl-2-methylphenyl)-4-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-(3-methyl-1H-indol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is JJILCQFFGZAOOK-PMERELPUSA-N. The full InChI is InChI=1S/C34H41N5O/c1-21-9-10-24(23-11-12-23)17-29(21)38-15-13-27-26(19-38)33(39-16-14-30(40-5)34(3,4)20-39)37-32(36-27)25-7-6-8-28-31(25)22(2)18-35-28/h6-10,17-18,23,30,35H,11-16,19-20H2,1-5H3/t30-/m0/s1.
What are the key properties of 6-(5-cyclopropyl-2-methylphenyl)-4-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-(3-methyl-1H-indol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(5-cyclopropyl-2-methylphenyl)-4-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-(3-methyl-1H-indol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 535.74 g/mol, XLogP of 6.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyclopropyl-2-methylphenyl)-4-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-(3-methyl-1H-indol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 71240590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).