6-(3-cyclopropyl-4-fluoro-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-[(4R)-4-methoxy-3,3-dimethylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C31H39FN8O — CID 71244860

IUPAC6-(3-cyclopropyl-4-fluoro-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-[(4R)-4-methoxy-3,3-dimethylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCO[C@@H]1CCN(c2nc(-c3c(C)ccc4n[nH]c(C)c34)nc3c2CN(c2c(F)c(C4CC4)nn2C)CC3)CC1(C)C
InChIInChI=1S/C31H39FN8O/c1-17-7-10-22-25(18(2)35-36-22)24(17)28-33-21-11-13-39(30-26(32)27(19-8-9-19)37-38(30)5)15-20(21)29(34-28)40-14-12-23(41-6)31(3,4)16-40/h7,10,19,23H,8-9,11-16H2,1-6H3,(H,35,36)/t23-/m1/s1
InChIKeyVCELVDYSEAYQIS-HSZRJFAPSA-N
MW558.71 g/mol
LogP5.20
Rot. Bonds5

About 6-(3-cyclopropyl-4-fluoro-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-[(4R)-4-methoxy-3,3-dimethylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-(3-cyclopropyl-4-fluoro-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-[(4R)-4-methoxy-3,3-dimethylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 71244860) has the molecular formula C31H39FN8O and a molecular weight of 558.71 g/mol. Its IUPAC name is 6-(3-cyclopropyl-4-fluoro-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-[(4R)-4-methoxy-3,3-dimethylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(3-cyclopropyl-4-fluoro-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-[(4R)-4-methoxy-3,3-dimethylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID71244860
Molecular FormulaC31H39FN8O
Molecular Weight558.71 g/mol
Exact Mass558.32
IUPAC Name6-(3-cyclopropyl-4-fluoro-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-[(4R)-4-methoxy-3,3-dimethylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCO[C@@H]1CCN(c2nc(-c3c(C)ccc4n[nH]c(C)c34)nc3c2CN(c2c(F)c(C4CC4)nn2C)CC3)CC1(C)C
InChIInChI=1S/C31H39FN8O/c1-17-7-10-22-25(18(2)35-36-22)24(17)28-33-21-11-13-39(30-26(32)27(19-8-9-19)37-38(30)5)15-20(21)29(34-28)40-14-12-23(41-6)31(3,4)16-40/h7,10,19,23H,8-9,11-16H2,1-6H3,(H,35,36)/t23-/m1/s1
InChIKeyVCELVDYSEAYQIS-HSZRJFAPSA-N
XLogP5.20
TPSA87.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.71
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(3-cyclopropyl-4-fluoro-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-[(4R)-4-methoxy-3,3-dimethylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

6-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-2-(3,5-dimethyl-2H-indazol-4-yl)-4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 71240447
2-(3,5-dimethyl-2H-indazol-4-yl)-4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-6-[2-methyl-5-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 78045969
6-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-[(4R)-4-ethoxy-3,3-dimethylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 71244801
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-(4-chloro-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 78045990
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
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
4-chloro-6-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 89397266
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
6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-4-[(4R)-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-[1-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)sulfonylindazol-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 141448911
(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

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclopropyl-4-fluoro-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-[(4R)-4-methoxy-3,3-dimethylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(3-cyclopropyl-4-fluoro-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-[(4R)-4-methoxy-3,3-dimethylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 71244860) is 6-(3-cyclopropyl-4-fluoro-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-[(4R)-4-methoxy-3,3-dimethylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(3-cyclopropyl-4-fluoro-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-[(4R)-4-methoxy-3,3-dimethylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(3-cyclopropyl-4-fluoro-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-[(4R)-4-methoxy-3,3-dimethylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CO[C@@H]1CCN(c2nc(-c3c(C)ccc4n[nH]c(C)c34)nc3c2CN(c2c(F)c(C4CC4)nn2C)CC3)CC1(C)C.
What is the InChIKey of 6-(3-cyclopropyl-4-fluoro-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-[(4R)-4-methoxy-3,3-dimethylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is VCELVDYSEAYQIS-HSZRJFAPSA-N. The full InChI is InChI=1S/C31H39FN8O/c1-17-7-10-22-25(18(2)35-36-22)24(17)28-33-21-11-13-39(30-26(32)27(19-8-9-19)37-38(30)5)15-20(21)29(34-28)40-14-12-23(41-6)31(3,4)16-40/h7,10,19,23H,8-9,11-16H2,1-6H3,(H,35,36)/t23-/m1/s1.
What are the key properties of 6-(3-cyclopropyl-4-fluoro-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-[(4R)-4-methoxy-3,3-dimethylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(3-cyclopropyl-4-fluoro-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-[(4R)-4-methoxy-3,3-dimethylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 558.71 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyclopropyl-4-fluoro-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-[(4R)-4-methoxy-3,3-dimethylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 71244860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).