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

C32H38ClN7O — CID 156792248

IUPAC5-chloro-6-methyl-4-[5-methyl-1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-3-(1-methylindazol-5-yl)pyrazol-4-yl]-1H-indazole;ethane;prop-2-enal
SMILESC=CC=O.CC.Cc1cc2[nH]ncc2c(-c2c(-c3ccc4c(cnn4C)c3)nn(C3CC4(C3)CN(C)C4)c2C)c1Cl
InChIInChI=1S/C27H28ClN7.C3H4O.C2H6/c1-15-7-21-20(12-29-31-21)24(25(15)28)23-16(2)35(19-9-27(10-19)13-33(3)14-27)32-26(23)17-5-6-22-18(8-17)11-30-34(22)4;1-2-3-4;1-2/h5-8,11-12,19H,9-10,13-14H2,1-4H3,(H,29,31);2-3H,1H2;1-2H3
InChIKeyAWKGODRVANSTTL-UHFFFAOYSA-N
MW572.16 g/mol
LogP6.91
Rot. Bonds4

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

5-chloro-6-methyl-4-[5-methyl-1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-3-(1-methylindazol-5-yl)pyrazol-4-yl]-1H-indazole;ethane;prop-2-enal (PubChem CID 156792248) has the molecular formula C32H38ClN7O and a molecular weight of 572.16 g/mol. Its IUPAC name is 5-chloro-6-methyl-4-[5-methyl-1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-3-(1-methylindazol-5-yl)pyrazol-4-yl]-1H-indazole;ethane;prop-2-enal.

Molecular Properties

Compound Name5-chloro-6-methyl-4-[5-methyl-1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-3-(1-methylindazol-5-yl)pyrazol-4-yl]-1H-indazole;ethane;prop-2-enal
PubChem CID156792248
Molecular FormulaC32H38ClN7O
Molecular Weight572.16 g/mol
Exact Mass571.28
IUPAC Name5-chloro-6-methyl-4-[5-methyl-1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-3-(1-methylindazol-5-yl)pyrazol-4-yl]-1H-indazole;ethane;prop-2-enal
SMILESC=CC=O.CC.Cc1cc2[nH]ncc2c(-c2c(-c3ccc4c(cnn4C)c3)nn(C3CC4(C3)CN(C)C4)c2C)c1Cl
InChIInChI=1S/C27H28ClN7.C3H4O.C2H6/c1-15-7-21-20(12-29-31-21)24(25(15)28)23-16(2)35(19-9-27(10-19)13-33(3)14-27)32-26(23)17-5-6-22-18(8-17)11-30-34(22)4;1-2-3-4;1-2/h5-8,11-12,19H,9-10,13-14H2,1-4H3,(H,29,31);2-3H,1H2;1-2H3
InChIKeyAWKGODRVANSTTL-UHFFFAOYSA-N
XLogP6.91
TPSA84.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.16
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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
5-chloro-4-[1-[2-[1-(2-chloroimidazol-1-yl)ethenyl]-2-azaspiro[3.3]heptan-6-yl]-5-methyl-3-(1-methylindazol-5-yl)pyrazol-4-yl]-6-methyl-1H-indazole
CID 176947165
1-[6-[4-(5-chloro-6-methyl-1H-indazol-4-yl)-3-isoquinolin-6-yl-5-methylpyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]prop-2-en-1-one
CID 166026463
1-[4-[4-(5,6-dimethyl-1H-indazol-4-yl)-5-methyl-3-(1-methylindazol-5-yl)pyrazol-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 174275752
tert-butyl 6-[4-(5-chloro-1-iodophosphanyl-6-methylindazol-4-yl)-5-methyl-3-(1-methylindazol-5-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 156792325
1-[6-[4-(5-chloro-6-methyl-1H-indazol-4-yl)-3-[2-[2-(3-methoxyazetidin-1-yl)ethyl]indazol-5-yl]-5-methylpyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]prop-2-en-1-one
CID 166026497
1-[6-[4-(5-chloro-6-methyl-1H-indazol-4-yl)-3-[4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]-5-methylpyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]prop-2-en-1-one
CID 166026466
iodo-[6-methyl-4-[5-methyl-1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-3-(1-methylindazol-5-yl)pyrazol-4-yl]indazol-1-yl]phosphane
CID 156792242
1-[6-[4-(5-chloro-6-methyl-1H-indazol-4-yl)-3-methyl-5-(1-methylindazol-5-yl)-3,4-dihydropyrazol-2-yl]-2-azaspiro[3.3]heptan-2-yl]prop-2-en-1-one
CID 177000164
CID 156792383
CID 156792383
1-[4-[4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methyl-3-(2-methyl-1,3-dihydroisoindol-5-yl)pyrazol-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 156512506
4-[1-(2-azaspiro[3.3]heptan-6-yl)-4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methylpyrazol-3-yl]-N-(2-methoxyethyl)benzamide
CID 156792297

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-4-[5-methyl-1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-3-(1-methylindazol-5-yl)pyrazol-4-yl]-1H-indazole;ethane;prop-2-enal?
The IUPAC name of 5-chloro-6-methyl-4-[5-methyl-1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-3-(1-methylindazol-5-yl)pyrazol-4-yl]-1H-indazole;ethane;prop-2-enal (CID 156792248) is 5-chloro-6-methyl-4-[5-methyl-1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-3-(1-methylindazol-5-yl)pyrazol-4-yl]-1H-indazole;ethane;prop-2-enal.
What is the SMILES notation for 5-chloro-6-methyl-4-[5-methyl-1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-3-(1-methylindazol-5-yl)pyrazol-4-yl]-1H-indazole;ethane;prop-2-enal?
The canonical SMILES for 5-chloro-6-methyl-4-[5-methyl-1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-3-(1-methylindazol-5-yl)pyrazol-4-yl]-1H-indazole;ethane;prop-2-enal is C=CC=O.CC.Cc1cc2[nH]ncc2c(-c2c(-c3ccc4c(cnn4C)c3)nn(C3CC4(C3)CN(C)C4)c2C)c1Cl.
What is the InChIKey of 5-chloro-6-methyl-4-[5-methyl-1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-3-(1-methylindazol-5-yl)pyrazol-4-yl]-1H-indazole;ethane;prop-2-enal?
The InChIKey is AWKGODRVANSTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN7.C3H4O.C2H6/c1-15-7-21-20(12-29-31-21)24(25(15)28)23-16(2)35(19-9-27(10-19)13-33(3)14-27)32-26(23)17-5-6-22-18(8-17)11-30-34(22)4;1-2-3-4;1-2/h5-8,11-12,19H,9-10,13-14H2,1-4H3,(H,29,31);2-3H,1H2;1-2H3.
What are the key properties of 5-chloro-6-methyl-4-[5-methyl-1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-3-(1-methylindazol-5-yl)pyrazol-4-yl]-1H-indazole;ethane;prop-2-enal?
5-chloro-6-methyl-4-[5-methyl-1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-3-(1-methylindazol-5-yl)pyrazol-4-yl]-1H-indazole;ethane;prop-2-enal has a molecular weight of 572.16 g/mol, XLogP of 6.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-4-[5-methyl-1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-3-(1-methylindazol-5-yl)pyrazol-4-yl]-1H-indazole;ethane;prop-2-enal is sourced from PubChem (CID 156792248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).