(2'S,3R)-5-methoxy-2'-[3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one

C24H24N6O2 — CID 166128806

IUPAC(2'S,3R)-5-methoxy-2'-[3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCOc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4c(C)nn(C)c4C)n[nH]c3c1)C(=O)N2
InChIInChI=1S/C24H24N6O2/c1-12-21(13(2)30(3)29-12)26-22-16-7-5-14(9-20(16)27-28-22)18-11-24(18)17-10-15(32-4)6-8-19(17)25-23(24)31/h5-10,18H,11H2,1-4H3,(H,25,31)(H2,26,27,28)/t18-,24-/m0/s1
InChIKeyVEBGUVVJYRHKOL-UUOWRZLLSA-N
MW428.50 g/mol
LogP4.04
Rot. Bonds4

About (2'S,3R)-5-methoxy-2'-[3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one

(2'S,3R)-5-methoxy-2'-[3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 166128806) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is (2'S,3R)-5-methoxy-2'-[3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name(2'S,3R)-5-methoxy-2'-[3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID166128806
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name(2'S,3R)-5-methoxy-2'-[3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCOc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4c(C)nn(C)c4C)n[nH]c3c1)C(=O)N2
InChIInChI=1S/C24H24N6O2/c1-12-21(13(2)30(3)29-12)26-22-16-7-5-14(9-20(16)27-28-22)18-11-24(18)17-10-15(32-4)6-8-19(17)25-23(24)31/h5-10,18H,11H2,1-4H3,(H,25,31)(H2,26,27,28)/t18-,24-/m0/s1
InChIKeyVEBGUVVJYRHKOL-UUOWRZLLSA-N
XLogP4.04
TPSA96.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2'S,3R)-5-methoxy-2'-[3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one with MolForge

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Related Compounds

(1r,2s)-2-{3-[(E)-2-{4-[(Dimethylamino)methyl]phenyl}ethenyl]-2h-Indazol-6-Yl}-5'-Methoxyspiro[cyclopropane-1,3'-Indol]-2'(1'h)-One
CID 58486384
(2'S,3R)-5-methoxy-2'-[3-[(E)-2-[4-[[(2S,6R)-2,4,6-trimethylpiperazin-1-yl]methyl]phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 56959991
(1R*,2S*)-5'-methoxy-2-(3-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)-1H-indazol-6-yl)spiro[cyclopropane-1,3'-indolin]-2'-one
CID 58486157
(1R,2S)-5'-methoxy-2-(3-(4-(4-methylpiperazin-1-yl)phenyl)-1H-indazol-6-yl)spiro [cyclopropane-1,3'-indolin]-2'-one
CID 58486186
(2'S,3R)-5-methoxy-2'-[3-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 58486224
(1R*,2S*)-5'-methoxy-2-(3-((E)-2-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)vinyl)-1H-indazol-6-yl)spiro[cyclopropane-1,3'-indolin]-2'-one
CID 58486268
(2'S,3R)-5-methoxy-2'-[3-(4-piperazin-1-ylphenyl)-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 67448476
(1R*,2S*)-5'-Methoxy-2-(3-(6-morpholinopyridin-3-yl)-1H-indazol-6-yl)spiro[cyclopropane-1,3'-indolin]-2'-one
CID 58486131
(2'S,3R)-2'-[3-[4-(4-fluoro-1-methylpiperidin-4-yl)phenyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 58486156
(2'S,3R)-2'-[3-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 58486208
US9907800, Example A98
CID 58486223
(2'R,3S)-5-methoxy-2'-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 58486335

Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-5-methoxy-2'-[3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of (2'S,3R)-5-methoxy-2'-[3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one (CID 166128806) is (2'S,3R)-5-methoxy-2'-[3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for (2'S,3R)-5-methoxy-2'-[3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for (2'S,3R)-5-methoxy-2'-[3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one is COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4c(C)nn(C)c4C)n[nH]c3c1)C(=O)N2.
What is the InChIKey of (2'S,3R)-5-methoxy-2'-[3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is VEBGUVVJYRHKOL-UUOWRZLLSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-12-21(13(2)30(3)29-12)26-22-16-7-5-14(9-20(16)27-28-22)18-11-24(18)17-10-15(32-4)6-8-19(17)25-23(24)31/h5-10,18H,11H2,1-4H3,(H,25,31)(H2,26,27,28)/t18-,24-/m0/s1.
What are the key properties of (2'S,3R)-5-methoxy-2'-[3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
(2'S,3R)-5-methoxy-2'-[3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 428.50 g/mol, XLogP of 4.04, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-5-methoxy-2'-[3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 166128806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).