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

C29H36ClN9 — CID 71240461

IUPAC1-[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
SMILESCc1ccc2n[nH]c(C)c2c1-c1nc2c(c(N3CCC(N(C)C)C3)n1)CN(c1c(Cl)c(C3CC3)nn1C)CC2
InChIInChI=1S/C29H36ClN9/c1-16-6-9-22-24(17(2)33-34-22)23(16)27-31-21-11-13-39(29-25(30)26(18-7-8-18)35-37(29)5)15-20(21)28(32-27)38-12-10-19(14-38)36(3)4/h6,9,18-19H,7-8,10-15H2,1-5H3,(H,33,34)
InChIKeyWDKMJWHJLBCEJC-UHFFFAOYSA-N
MW546.12 g/mol
LogP4.60
Rot. Bonds5

About 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

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 (PubChem CID 71240461) has the molecular formula C29H36ClN9 and a molecular weight of 546.12 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID71240461
Molecular FormulaC29H36ClN9
Molecular Weight546.12 g/mol
Exact Mass545.28
IUPAC Name1-[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
SMILESCc1ccc2n[nH]c(C)c2c1-c1nc2c(c(N3CCC(N(C)C)C3)n1)CN(c1c(Cl)c(C3CC3)nn1C)CC2
InChIInChI=1S/C29H36ClN9/c1-16-6-9-22-24(17(2)33-34-22)23(16)27-31-21-11-13-39(29-25(30)26(18-7-8-18)35-37(29)5)15-20(21)28(32-27)38-12-10-19(14-38)36(3)4/h6,9,18-19H,7-8,10-15H2,1-5H3,(H,33,34)
InChIKeyWDKMJWHJLBCEJC-UHFFFAOYSA-N
XLogP4.60
TPSA82.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.12
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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-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
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-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
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
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-(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
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
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2n[nH]c(C)c2c1-c1nc2c(c(N3CCC(N(C)C)C3)n1)CN(c1c(Cl)c(C3CC3)nn1C)CC2.
What is the InChIKey of 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?
The InChIKey is WDKMJWHJLBCEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36ClN9/c1-16-6-9-22-24(17(2)33-34-22)23(16)27-31-21-11-13-39(29-25(30)26(18-7-8-18)35-37(29)5)15-20(21)28(32-27)38-12-10-19(14-38)36(3)4/h6,9,18-19H,7-8,10-15H2,1-5H3,(H,33,34).
What are the key properties of 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?
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 has a molecular weight of 546.12 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 71240461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).