6-(4-chloro-1-methyl-3-propan-2-ylpyrazol-5-yl)-2-[3,5-dimethyl-1-(4-methylphenyl)sulfonylindazol-4-yl]-4-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C37H45ClN8O3S — CID 71240593

IUPAC6-(4-chloro-1-methyl-3-propan-2-ylpyrazol-5-yl)-2-[3,5-dimethyl-1-(4-methylphenyl)sulfonylindazol-4-yl]-4-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCO[C@@H]1CCN(c2nc(-c3c(C)ccc4c3c(C)nn4S(=O)(=O)c3ccc(C)cc3)nc3c2CN(c2c(Cl)c(C(C)C)nn2C)CC3)[C@H](C)C1
InChIInChI=1S/C37H45ClN8O3S/c1-21(2)34-33(38)37(43(7)42-34)44-17-16-29-28(20-44)36(45-18-15-26(49-8)19-24(45)5)40-35(39-29)31-23(4)11-14-30-32(31)25(6)41-46(30)50(47,48)27-12-9-22(3)10-13-27/h9-14,21,24,26H,15-20H2,1-8H3/t24-,26-/m1/s1
InChIKeyNOVMXFIQJAAUOY-AOYPEHQESA-N
MW717.34 g/mol
LogP6.73
Rot. Bonds7

About 6-(4-chloro-1-methyl-3-propan-2-ylpyrazol-5-yl)-2-[3,5-dimethyl-1-(4-methylphenyl)sulfonylindazol-4-yl]-4-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-(4-chloro-1-methyl-3-propan-2-ylpyrazol-5-yl)-2-[3,5-dimethyl-1-(4-methylphenyl)sulfonylindazol-4-yl]-4-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 71240593) has the molecular formula C37H45ClN8O3S and a molecular weight of 717.34 g/mol. Its IUPAC name is 6-(4-chloro-1-methyl-3-propan-2-ylpyrazol-5-yl)-2-[3,5-dimethyl-1-(4-methylphenyl)sulfonylindazol-4-yl]-4-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(4-chloro-1-methyl-3-propan-2-ylpyrazol-5-yl)-2-[3,5-dimethyl-1-(4-methylphenyl)sulfonylindazol-4-yl]-4-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID71240593
Molecular FormulaC37H45ClN8O3S
Molecular Weight717.34 g/mol
Exact Mass716.30
IUPAC Name6-(4-chloro-1-methyl-3-propan-2-ylpyrazol-5-yl)-2-[3,5-dimethyl-1-(4-methylphenyl)sulfonylindazol-4-yl]-4-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCO[C@@H]1CCN(c2nc(-c3c(C)ccc4c3c(C)nn4S(=O)(=O)c3ccc(C)cc3)nc3c2CN(c2c(Cl)c(C(C)C)nn2C)CC3)[C@H](C)C1
InChIInChI=1S/C37H45ClN8O3S/c1-21(2)34-33(38)37(43(7)42-34)44-17-16-29-28(20-44)36(45-18-15-26(49-8)19-24(45)5)40-35(39-29)31-23(4)11-14-30-32(31)25(6)41-46(30)50(47,48)27-12-9-22(3)10-13-27/h9-14,21,24,26H,15-20H2,1-8H3/t24-,26-/m1/s1
InChIKeyNOVMXFIQJAAUOY-AOYPEHQESA-N
XLogP6.73
TPSA111.27 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500717.34
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 6-(4-chloro-1-methyl-3-propan-2-ylpyrazol-5-yl)-2-[3,5-dimethyl-1-(4-methylphenyl)sulfonylindazol-4-yl]-4-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

6-(3-cyclopropyl-4-fluoro-1-methylpyrazol-5-yl)-2-[3,5-dimethyl-1-(4-methylphenyl)sulfonylindazol-4-yl]-4-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 78046010
4-[6-(3-cyclopropyl-1-ethylpyrazol-5-yl)-2-[3,5-dimethyl-1-(4-methylphenyl)sulfonylindazol-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 71240672
6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-[(2R,4R)-4-ethoxy-2-methylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 71244817
6-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-(4-methoxy-2-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 78044774
1-cyclopropyl-3-[2-[3,5-dimethyl-1-(4-methylphenyl)sulfonylindazol-4-yl]-4-[(4R)-4-methoxy-3,3-dimethylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propane-1,3-dione
CID 86690285
6-benzyl-2-(2,6-dimethylphenyl)-4-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 71238853
2-(2,5-dimethylphenyl)-4-(4-methoxy-2-methylpiperidin-1-yl)-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 78044655
2-(2,6-dimethylphenyl)-4-(3-methoxyazetidin-1-yl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 71240573
2-[3-methyl-1-(4-methylphenyl)sulfonylindol-4-yl]-4-[(2R)-2-methylpiperazin-1-yl]-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 71240674
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
1-[6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine
CID 71240461
6-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-(2-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 71239147

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-1-methyl-3-propan-2-ylpyrazol-5-yl)-2-[3,5-dimethyl-1-(4-methylphenyl)sulfonylindazol-4-yl]-4-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(4-chloro-1-methyl-3-propan-2-ylpyrazol-5-yl)-2-[3,5-dimethyl-1-(4-methylphenyl)sulfonylindazol-4-yl]-4-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 71240593) is 6-(4-chloro-1-methyl-3-propan-2-ylpyrazol-5-yl)-2-[3,5-dimethyl-1-(4-methylphenyl)sulfonylindazol-4-yl]-4-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(4-chloro-1-methyl-3-propan-2-ylpyrazol-5-yl)-2-[3,5-dimethyl-1-(4-methylphenyl)sulfonylindazol-4-yl]-4-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(4-chloro-1-methyl-3-propan-2-ylpyrazol-5-yl)-2-[3,5-dimethyl-1-(4-methylphenyl)sulfonylindazol-4-yl]-4-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CO[C@@H]1CCN(c2nc(-c3c(C)ccc4c3c(C)nn4S(=O)(=O)c3ccc(C)cc3)nc3c2CN(c2c(Cl)c(C(C)C)nn2C)CC3)[C@H](C)C1.
What is the InChIKey of 6-(4-chloro-1-methyl-3-propan-2-ylpyrazol-5-yl)-2-[3,5-dimethyl-1-(4-methylphenyl)sulfonylindazol-4-yl]-4-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is NOVMXFIQJAAUOY-AOYPEHQESA-N. The full InChI is InChI=1S/C37H45ClN8O3S/c1-21(2)34-33(38)37(43(7)42-34)44-17-16-29-28(20-44)36(45-18-15-26(49-8)19-24(45)5)40-35(39-29)31-23(4)11-14-30-32(31)25(6)41-46(30)50(47,48)27-12-9-22(3)10-13-27/h9-14,21,24,26H,15-20H2,1-8H3/t24-,26-/m1/s1.
What are the key properties of 6-(4-chloro-1-methyl-3-propan-2-ylpyrazol-5-yl)-2-[3,5-dimethyl-1-(4-methylphenyl)sulfonylindazol-4-yl]-4-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(4-chloro-1-methyl-3-propan-2-ylpyrazol-5-yl)-2-[3,5-dimethyl-1-(4-methylphenyl)sulfonylindazol-4-yl]-4-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 717.34 g/mol, XLogP of 6.73, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-1-methyl-3-propan-2-ylpyrazol-5-yl)-2-[3,5-dimethyl-1-(4-methylphenyl)sulfonylindazol-4-yl]-4-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 71240593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).