(3-amino-1,3,4,5,6,7-hexahydroindazol-2-yl)-(2-propan-2-yl-1H-indol-4-yl)methanone

C19H24N4O — CID 142750651

IUPAC(3-amino-1,3,4,5,6,7-hexahydroindazol-2-yl)-(2-propan-2-yl-1H-indol-4-yl)methanone
SMILESCC(C)c1cc2c(C(=O)N3NC4=C(CCCC4)C3N)cccc2[nH]1
InChIInChI=1S/C19H24N4O/c1-11(2)17-10-14-12(7-5-9-15(14)21-17)19(24)23-18(20)13-6-3-4-8-16(13)22-23/h5,7,9-11,18,21-22H,3-4,6,8,20H2,1-2H3
InChIKeyXHVYIFYPLLNIIR-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.36
Rot. Bonds2

About (3-amino-1,3,4,5,6,7-hexahydroindazol-2-yl)-(2-propan-2-yl-1H-indol-4-yl)methanone

(3-amino-1,3,4,5,6,7-hexahydroindazol-2-yl)-(2-propan-2-yl-1H-indol-4-yl)methanone (PubChem CID 142750651) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (3-amino-1,3,4,5,6,7-hexahydroindazol-2-yl)-(2-propan-2-yl-1H-indol-4-yl)methanone.

Molecular Properties

Compound Name(3-amino-1,3,4,5,6,7-hexahydroindazol-2-yl)-(2-propan-2-yl-1H-indol-4-yl)methanone
PubChem CID142750651
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(3-amino-1,3,4,5,6,7-hexahydroindazol-2-yl)-(2-propan-2-yl-1H-indol-4-yl)methanone
SMILESCC(C)c1cc2c(C(=O)N3NC4=C(CCCC4)C3N)cccc2[nH]1
InChIInChI=1S/C19H24N4O/c1-11(2)17-10-14-12(7-5-9-15(14)21-17)19(24)23-18(20)13-6-3-4-8-16(13)22-23/h5,7,9-11,18,21-22H,3-4,6,8,20H2,1-2H3
InChIKeyXHVYIFYPLLNIIR-UHFFFAOYSA-N
XLogP3.36
TPSA74.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1,3,4,5,6,7-hexahydroindazol-2-yl)-(2-propan-2-yl-1H-indol-4-yl)methanone?
The IUPAC name of (3-amino-1,3,4,5,6,7-hexahydroindazol-2-yl)-(2-propan-2-yl-1H-indol-4-yl)methanone (CID 142750651) is (3-amino-1,3,4,5,6,7-hexahydroindazol-2-yl)-(2-propan-2-yl-1H-indol-4-yl)methanone.
What is the SMILES notation for (3-amino-1,3,4,5,6,7-hexahydroindazol-2-yl)-(2-propan-2-yl-1H-indol-4-yl)methanone?
The canonical SMILES for (3-amino-1,3,4,5,6,7-hexahydroindazol-2-yl)-(2-propan-2-yl-1H-indol-4-yl)methanone is CC(C)c1cc2c(C(=O)N3NC4=C(CCCC4)C3N)cccc2[nH]1.
What is the InChIKey of (3-amino-1,3,4,5,6,7-hexahydroindazol-2-yl)-(2-propan-2-yl-1H-indol-4-yl)methanone?
The InChIKey is XHVYIFYPLLNIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-11(2)17-10-14-12(7-5-9-15(14)21-17)19(24)23-18(20)13-6-3-4-8-16(13)22-23/h5,7,9-11,18,21-22H,3-4,6,8,20H2,1-2H3.
What are the key properties of (3-amino-1,3,4,5,6,7-hexahydroindazol-2-yl)-(2-propan-2-yl-1H-indol-4-yl)methanone?
(3-amino-1,3,4,5,6,7-hexahydroindazol-2-yl)-(2-propan-2-yl-1H-indol-4-yl)methanone has a molecular weight of 324.43 g/mol, XLogP of 3.36, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1,3,4,5,6,7-hexahydroindazol-2-yl)-(2-propan-2-yl-1H-indol-4-yl)methanone is sourced from PubChem (CID 142750651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).