5-chloro-6-methyl-4-[5-methyl-3-(1-methylindazol-5-yl)-1-(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]-1H-indazole

C29H32ClN7 — CID 172547516

IUPAC5-chloro-6-methyl-4-[5-methyl-3-(1-methylindazol-5-yl)-1-(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]-1H-indazole
SMILESCc1cc2[nH]ncc2c(-c2c(-c3ccc4c(cnn4C)c3)nn(C3CC4(C3)CN(C(C)C)C4)c2C)c1Cl
InChIInChI=1S/C29H32ClN7/c1-16(2)36-14-29(15-36)10-21(11-29)37-18(4)25(26-22-13-31-33-23(22)8-17(3)27(26)30)28(34-37)19-6-7-24-20(9-19)12-32-35(24)5/h6-9,12-13,16,21H,10-11,14-15H2,1-5H3,(H,31,33)
InChIKeyYTKSVHMYEJXKRR-UHFFFAOYSA-N
MW514.08 g/mol
LogP6.30
Rot. Bonds4

About 5-chloro-6-methyl-4-[5-methyl-3-(1-methylindazol-5-yl)-1-(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]-1H-indazole

5-chloro-6-methyl-4-[5-methyl-3-(1-methylindazol-5-yl)-1-(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]-1H-indazole (PubChem CID 172547516) has the molecular formula C29H32ClN7 and a molecular weight of 514.08 g/mol. Its IUPAC name is 5-chloro-6-methyl-4-[5-methyl-3-(1-methylindazol-5-yl)-1-(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]-1H-indazole.

Molecular Properties

Compound Name5-chloro-6-methyl-4-[5-methyl-3-(1-methylindazol-5-yl)-1-(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]-1H-indazole
PubChem CID172547516
Molecular FormulaC29H32ClN7
Molecular Weight514.08 g/mol
Exact Mass513.24
IUPAC Name5-chloro-6-methyl-4-[5-methyl-3-(1-methylindazol-5-yl)-1-(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]-1H-indazole
SMILESCc1cc2[nH]ncc2c(-c2c(-c3ccc4c(cnn4C)c3)nn(C3CC4(C3)CN(C(C)C)C4)c2C)c1Cl
InChIInChI=1S/C29H32ClN7/c1-16(2)36-14-29(15-36)10-21(11-29)37-18(4)25(26-22-13-31-33-23(22)8-17(3)27(26)30)28(34-37)19-6-7-24-20(9-19)12-32-35(24)5/h6-9,12-13,16,21H,10-11,14-15H2,1-5H3,(H,31,33)
InChIKeyYTKSVHMYEJXKRR-UHFFFAOYSA-N
XLogP6.30
TPSA67.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.08
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-4-[5-methyl-3-(1-methylindazol-5-yl)-1-(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]-1H-indazole?
The IUPAC name of 5-chloro-6-methyl-4-[5-methyl-3-(1-methylindazol-5-yl)-1-(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]-1H-indazole (CID 172547516) is 5-chloro-6-methyl-4-[5-methyl-3-(1-methylindazol-5-yl)-1-(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]-1H-indazole.
What is the SMILES notation for 5-chloro-6-methyl-4-[5-methyl-3-(1-methylindazol-5-yl)-1-(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]-1H-indazole?
The canonical SMILES for 5-chloro-6-methyl-4-[5-methyl-3-(1-methylindazol-5-yl)-1-(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]-1H-indazole is Cc1cc2[nH]ncc2c(-c2c(-c3ccc4c(cnn4C)c3)nn(C3CC4(C3)CN(C(C)C)C4)c2C)c1Cl.
What is the InChIKey of 5-chloro-6-methyl-4-[5-methyl-3-(1-methylindazol-5-yl)-1-(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]-1H-indazole?
The InChIKey is YTKSVHMYEJXKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32ClN7/c1-16(2)36-14-29(15-36)10-21(11-29)37-18(4)25(26-22-13-31-33-23(22)8-17(3)27(26)30)28(34-37)19-6-7-24-20(9-19)12-32-35(24)5/h6-9,12-13,16,21H,10-11,14-15H2,1-5H3,(H,31,33).
What are the key properties of 5-chloro-6-methyl-4-[5-methyl-3-(1-methylindazol-5-yl)-1-(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]-1H-indazole?
5-chloro-6-methyl-4-[5-methyl-3-(1-methylindazol-5-yl)-1-(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]-1H-indazole has a molecular weight of 514.08 g/mol, XLogP of 6.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-4-[5-methyl-3-(1-methylindazol-5-yl)-1-(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]-1H-indazole is sourced from PubChem (CID 172547516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).