5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one;N-(1-methylpyrazol-4-yl)-1H-indazol-3-amine

C22H22N6O2 — CID 166129431

IUPAC5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one;N-(1-methylpyrazol-4-yl)-1H-indazol-3-amine
SMILESCOc1ccc2c(c1)C1(CC1)C(=O)N2.Cn1cc(Nc2n[nH]c3ccccc23)cn1
InChIInChI=1S/C11H11N5.C11H11NO2/c1-16-7-8(6-12-16)13-11-9-4-2-3-5-10(9)14-15-11;1-14-7-2-3-9-8(6-7)11(4-5-11)10(13)12-9/h2-7H,1H3,(H2,13,14,15);2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeyHHSNXJIKZNTGQD-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.72
Rot. Bonds3

About 5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one;N-(1-methylpyrazol-4-yl)-1H-indazol-3-amine

5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one;N-(1-methylpyrazol-4-yl)-1H-indazol-3-amine (PubChem CID 166129431) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one;N-(1-methylpyrazol-4-yl)-1H-indazol-3-amine.

Molecular Properties

Compound Name5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one;N-(1-methylpyrazol-4-yl)-1H-indazol-3-amine
PubChem CID166129431
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one;N-(1-methylpyrazol-4-yl)-1H-indazol-3-amine
SMILESCOc1ccc2c(c1)C1(CC1)C(=O)N2.Cn1cc(Nc2n[nH]c3ccccc23)cn1
InChIInChI=1S/C11H11N5.C11H11NO2/c1-16-7-8(6-12-16)13-11-9-4-2-3-5-10(9)14-15-11;1-14-7-2-3-9-8(6-7)11(4-5-11)10(13)12-9/h2-7H,1H3,(H2,13,14,15);2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeyHHSNXJIKZNTGQD-UHFFFAOYSA-N
XLogP3.72
TPSA96.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one;N-(1-methylpyrazol-4-yl)-1H-indazol-3-amine with MolForge

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Related Compounds

1-(2-methoxy-1-phenylethyl)-3-[3-[(1-methylpyrazol-4-yl)amino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 123543737
5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 15043286
(3S)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 99728181
2'-[3-[(5-chloropyrimidin-4-yl)amino]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 166129145
(2'S,3S)-2'-[3-[(5-chloro-2-methyl-4-pyridinyl)amino]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 170328876
(2'S,3R)-2'-[3-[[5-(difluoromethoxy)-2-methylpyrimidin-4-yl]amino]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 166128644
(2'S,3R)-2'-[3-[[3-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydro-1-benzofuran-7-yl]amino]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 166128706
(2'S,3R)-2'-[3-[5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-methoxyanilino]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 171506799
5-methoxy-1'-(2-phenoxyacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53177042
5-methoxy-N-(4-methoxyphenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177101
N-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-4-amine
CID 175150207
1-(1H-indazol-3-yl)-3-(4-methoxyphenyl)urea
CID 25197519

Frequently Asked Questions

What is the IUPAC name of 5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one;N-(1-methylpyrazol-4-yl)-1H-indazol-3-amine?
The IUPAC name of 5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one;N-(1-methylpyrazol-4-yl)-1H-indazol-3-amine (CID 166129431) is 5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one;N-(1-methylpyrazol-4-yl)-1H-indazol-3-amine.
What is the SMILES notation for 5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one;N-(1-methylpyrazol-4-yl)-1H-indazol-3-amine?
The canonical SMILES for 5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one;N-(1-methylpyrazol-4-yl)-1H-indazol-3-amine is COc1ccc2c(c1)C1(CC1)C(=O)N2.Cn1cc(Nc2n[nH]c3ccccc23)cn1.
What is the InChIKey of 5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one;N-(1-methylpyrazol-4-yl)-1H-indazol-3-amine?
The InChIKey is HHSNXJIKZNTGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5.C11H11NO2/c1-16-7-8(6-12-16)13-11-9-4-2-3-5-10(9)14-15-11;1-14-7-2-3-9-8(6-7)11(4-5-11)10(13)12-9/h2-7H,1H3,(H2,13,14,15);2-3,6H,4-5H2,1H3,(H,12,13).
What are the key properties of 5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one;N-(1-methylpyrazol-4-yl)-1H-indazol-3-amine?
5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one;N-(1-methylpyrazol-4-yl)-1H-indazol-3-amine has a molecular weight of 402.46 g/mol, XLogP of 3.72, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one;N-(1-methylpyrazol-4-yl)-1H-indazol-3-amine is sourced from PubChem (CID 166129431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).