4-[(2R,4S)-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 71238926

IUPAC4-[(2R,4S)-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-NOZRDPDXSA-N
MW523.73 g/mol
LogP6.93
Rot. Bonds5

About 4-[(2R,4S)-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,4S)-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 71238926) has the molecular formula C33H41N5O and a molecular weight of 523.73 g/mol. Its IUPAC name is 4-[(2R,4S)-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,4S)-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 CID71238926
Molecular FormulaC33H41N5O
Molecular Weight523.73 g/mol
Exact Mass523.33
IUPAC Name4-[(2R,4S)-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-NOZRDPDXSA-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

Analyze 4-[(2R,4S)-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 with MolForge

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Related Compounds

CID 68853
CID 68853
CID 4259181
CID 4259181
CID 3056049
CID 3056049
CID 3068867
CID 3068867
CID 60148794
CID 60148794
CID 60148924
CID 60148924
CID 53378051
CID 53378051
CID 146275562
CID 146275562
CID 158473
CID 158473
CID 3056048
CID 3056048
CID 3068865
CID 3068865
CID 3068866
CID 3068866

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,4S)-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,4S)-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 71238926) is 4-[(2R,4S)-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,4S)-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,4S)-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,4S)-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-NOZRDPDXSA-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,4S)-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,4S)-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,4S)-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 71238926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).