2-[2-(3-methyl-2H-indazol-6-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetamide

C20H18N4O2 — CID 91449110

IUPAC2-[2-(3-methyl-2H-indazol-6-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetamide
SMILESCc1[nH]nc2cc(C3CC34C(=O)N(CC(N)=O)c3ccccc34)ccc12
InChIInChI=1S/C20H18N4O2/c1-11-13-7-6-12(8-16(13)23-22-11)15-9-20(15)14-4-2-3-5-17(14)24(19(20)26)10-18(21)25/h2-8,15H,9-10H2,1H3,(H2,21,25)(H,22,23)
InChIKeyVQKAHRCXQUAVNK-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.13
Rot. Bonds3

About 2-[2-(3-methyl-2H-indazol-6-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetamide

2-[2-(3-methyl-2H-indazol-6-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetamide (PubChem CID 91449110) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[2-(3-methyl-2H-indazol-6-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetamide.

Molecular Properties

Compound Name2-[2-(3-methyl-2H-indazol-6-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetamide
PubChem CID91449110
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2-[2-(3-methyl-2H-indazol-6-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetamide
SMILESCc1[nH]nc2cc(C3CC34C(=O)N(CC(N)=O)c3ccccc34)ccc12
InChIInChI=1S/C20H18N4O2/c1-11-13-7-6-12(8-16(13)23-22-11)15-9-20(15)14-4-2-3-5-17(14)24(19(20)26)10-18(21)25/h2-8,15H,9-10H2,1H3,(H2,21,25)(H,22,23)
InChIKeyVQKAHRCXQUAVNK-UHFFFAOYSA-N
XLogP2.13
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methyl-2H-indazol-6-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetamide?
The IUPAC name of 2-[2-(3-methyl-2H-indazol-6-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetamide (CID 91449110) is 2-[2-(3-methyl-2H-indazol-6-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetamide.
What is the SMILES notation for 2-[2-(3-methyl-2H-indazol-6-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetamide?
The canonical SMILES for 2-[2-(3-methyl-2H-indazol-6-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetamide is Cc1[nH]nc2cc(C3CC34C(=O)N(CC(N)=O)c3ccccc34)ccc12.
What is the InChIKey of 2-[2-(3-methyl-2H-indazol-6-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetamide?
The InChIKey is VQKAHRCXQUAVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-11-13-7-6-12(8-16(13)23-22-11)15-9-20(15)14-4-2-3-5-17(14)24(19(20)26)10-18(21)25/h2-8,15H,9-10H2,1H3,(H2,21,25)(H,22,23).
What are the key properties of 2-[2-(3-methyl-2H-indazol-6-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetamide?
2-[2-(3-methyl-2H-indazol-6-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetamide has a molecular weight of 346.39 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methyl-2H-indazol-6-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetamide is sourced from PubChem (CID 91449110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).