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

C33H41N5O — CID 71239156

IUPAC4-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCO[C@@H]1CCN(c2nc(-c3cccc4[nH]cc(C)c34)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)[C@H](C)C1
InChIInChI=1S/C33H41N5O/c1-20(2)24-11-10-21(3)30(17-24)37-14-13-28-27(19-37)33(38-15-12-25(39-6)16-23(38)5)36-32(35-28)26-8-7-9-29-31(26)22(4)18-34-29/h7-11,17-18,20,23,25,34H,12-16,19H2,1-6H3/t23-,25-/m1/s1
InChIKeySJPNDDCPUPSHLS-ILBGXUMGSA-N
MW523.73 g/mol
LogP6.93
Rot. Bonds5

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

4-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-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 71239156) has the molecular formula C33H41N5O and a molecular weight of 523.73 g/mol. Its IUPAC name is 4-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-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-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID71239156
Molecular FormulaC33H41N5O
Molecular Weight523.73 g/mol
Exact Mass523.33
IUPAC Name4-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCO[C@@H]1CCN(c2nc(-c3cccc4[nH]cc(C)c34)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)[C@H](C)C1
InChIInChI=1S/C33H41N5O/c1-20(2)24-11-10-21(3)30(17-24)37-14-13-28-27(19-37)33(38-15-12-25(39-6)16-23(38)5)36-32(35-28)26-8-7-9-29-31(26)22(4)18-34-29/h7-11,17-18,20,23,25,34H,12-16,19H2,1-6H3/t23-,25-/m1/s1
InChIKeySJPNDDCPUPSHLS-ILBGXUMGSA-N
XLogP6.93
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.73
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-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-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 71239156) is 4-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-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-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-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-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CO[C@@H]1CCN(c2nc(-c3cccc4[nH]cc(C)c34)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)[C@H](C)C1.
What is the InChIKey of 4-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-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 SJPNDDCPUPSHLS-ILBGXUMGSA-N. The full InChI is InChI=1S/C33H41N5O/c1-20(2)24-11-10-21(3)30(17-24)37-14-13-28-27(19-37)33(38-15-12-25(39-6)16-23(38)5)36-32(35-28)26-8-7-9-29-31(26)22(4)18-34-29/h7-11,17-18,20,23,25,34H,12-16,19H2,1-6H3/t23-,25-/m1/s1.
What are the key properties of 4-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
4-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-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 523.73 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 4-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-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 71239156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).