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

C33H42N6O — CID 71244785

IUPAC4-[(2S,6R)-4-methoxy-2,6-dimethylpiperidin-1-yl]-2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOC1C[C@@H](C)N(c2nc(-c3c(C)ccc4[nH]ncc34)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)[C@@H](C)C1
InChIInChI=1S/C33H42N6O/c1-19(2)24-10-8-20(3)30(16-24)38-13-12-28-27(18-38)33(39-22(5)14-25(40-7)15-23(39)6)36-32(35-28)31-21(4)9-11-29-26(31)17-34-37-29/h8-11,16-17,19,22-23,25H,12-15,18H2,1-7H3,(H,34,37)/t22-,23+,25?
InChIKeyPEENFEMTJRHVQC-HCGNOCCLSA-N
MW538.74 g/mol
LogP6.72
Rot. Bonds5

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

4-[(2S,6R)-4-methoxy-2,6-dimethylpiperidin-1-yl]-2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 71244785) has the molecular formula C33H42N6O and a molecular weight of 538.74 g/mol. Its IUPAC name is 4-[(2S,6R)-4-methoxy-2,6-dimethylpiperidin-1-yl]-2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-[(2S,6R)-4-methoxy-2,6-dimethylpiperidin-1-yl]-2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID71244785
Molecular FormulaC33H42N6O
Molecular Weight538.74 g/mol
Exact Mass538.34
IUPAC Name4-[(2S,6R)-4-methoxy-2,6-dimethylpiperidin-1-yl]-2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOC1C[C@@H](C)N(c2nc(-c3c(C)ccc4[nH]ncc34)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)[C@@H](C)C1
InChIInChI=1S/C33H42N6O/c1-19(2)24-10-8-20(3)30(16-24)38-13-12-28-27(18-38)33(39-22(5)14-25(40-7)15-23(39)6)36-32(35-28)31-21(4)9-11-29-26(31)17-34-37-29/h8-11,16-17,19,22-23,25H,12-15,18H2,1-7H3,(H,34,37)/t22-,23+,25?
InChIKeyPEENFEMTJRHVQC-HCGNOCCLSA-N
XLogP6.72
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.74
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(2S,6R)-4-methoxy-2,6-dimethylpiperidin-1-yl]-2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

1-[2-methyl-4-[2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 71240518
4-methoxy-6-(2-methyl-5-propan-2-ylphenyl)-2-(5-propan-2-yl-1H-indazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 71240546
4-methyl-6-(2-methyl-5-propan-2-ylphenyl)-2-(5-propan-2-yl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine
CID 71240608
4-[(1S,5R)-3-methoxy-8-azabicyclo[3.2.1]octan-8-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 71244715
(1S,5R,7R)-9-[2-chloro-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-7-methoxy-9-azatricyclo[3.3.1.02,4]non-2-ene
CID 129113823
1-[(2S,5R)-4-[2-(2,6-dimethylphenyl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]ethanone
CID 71244797
(3S)-1-[2-(3,5-dimethyl-2H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-4-methoxy-N,N-dimethylpyrrolidin-3-amine
CID 122196638
2-(2,5-dimethylphenyl)-4-(4-methoxy-3-methylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 78046004
2-(3,5-dimethyl-2H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;ethane;methanol
CID 144518643
4-(3,3-dimethylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-2-(2,4,6-trimethylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 129113566
4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-2-(1-methylindazol-7-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 71240689
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

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,6R)-4-methoxy-2,6-dimethylpiperidin-1-yl]-2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 4-[(2S,6R)-4-methoxy-2,6-dimethylpiperidin-1-yl]-2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 71244785) is 4-[(2S,6R)-4-methoxy-2,6-dimethylpiperidin-1-yl]-2-(5-methyl-1H-indazol-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-[(2S,6R)-4-methoxy-2,6-dimethylpiperidin-1-yl]-2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-[(2S,6R)-4-methoxy-2,6-dimethylpiperidin-1-yl]-2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COC1C[C@@H](C)N(c2nc(-c3c(C)ccc4[nH]ncc34)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)[C@@H](C)C1.
What is the InChIKey of 4-[(2S,6R)-4-methoxy-2,6-dimethylpiperidin-1-yl]-2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is PEENFEMTJRHVQC-HCGNOCCLSA-N. The full InChI is InChI=1S/C33H42N6O/c1-19(2)24-10-8-20(3)30(16-24)38-13-12-28-27(18-38)33(39-22(5)14-25(40-7)15-23(39)6)36-32(35-28)31-21(4)9-11-29-26(31)17-34-37-29/h8-11,16-17,19,22-23,25H,12-15,18H2,1-7H3,(H,34,37)/t22-,23+,25?.
What are the key properties of 4-[(2S,6R)-4-methoxy-2,6-dimethylpiperidin-1-yl]-2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
4-[(2S,6R)-4-methoxy-2,6-dimethylpiperidin-1-yl]-2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 538.74 g/mol, XLogP of 6.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,6R)-4-methoxy-2,6-dimethylpiperidin-1-yl]-2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 71244785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).