5-methoxy-6-[[6-[(1'S,3R)-5-methoxy-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-1H-indazol-3-yl]amino]-N-(3-methyloxetan-3-yl)pyridine-3-sulfonamide

C28H28N6O6S — CID 166128783

IUPAC5-methoxy-6-[[6-[(1'S,3R)-5-methoxy-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-1H-indazol-3-yl]amino]-N-(3-methyloxetan-3-yl)pyridine-3-sulfonamide
SMILESCOc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ncc(S(=O)(=O)NC5(C)COC5)cc4OC)n[nH]c3c1)C(=O)N2
InChIInChI=1S/C28H28N6O6S/c1-27(13-40-14-27)34-41(36,37)17-10-23(39-3)25(29-12-17)31-24-18-6-4-15(8-22(18)32-33-24)20-11-28(20)19-9-16(38-2)5-7-21(19)30-26(28)35/h4-10,12,20,34H,11,13-14H2,1-3H3,(H,30,35)(H2,29,31,32,33)/t20-,28-/m0/s1
InChIKeyCODJRIKNYSCBSA-MMTVBGGISA-N
MW576.64 g/mol
LogP3.16
Rot. Bonds8

About 5-methoxy-6-[[6-[(1'S,3R)-5-methoxy-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-1H-indazol-3-yl]amino]-N-(3-methyloxetan-3-yl)pyridine-3-sulfonamide

5-methoxy-6-[[6-[(1'S,3R)-5-methoxy-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-1H-indazol-3-yl]amino]-N-(3-methyloxetan-3-yl)pyridine-3-sulfonamide (PubChem CID 166128783) has the molecular formula C28H28N6O6S and a molecular weight of 576.64 g/mol. Its IUPAC name is 5-methoxy-6-[[6-[(1'S,3R)-5-methoxy-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-1H-indazol-3-yl]amino]-N-(3-methyloxetan-3-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-methoxy-6-[[6-[(1'S,3R)-5-methoxy-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-1H-indazol-3-yl]amino]-N-(3-methyloxetan-3-yl)pyridine-3-sulfonamide
PubChem CID166128783
Molecular FormulaC28H28N6O6S
Molecular Weight576.64 g/mol
Exact Mass576.18
IUPAC Name5-methoxy-6-[[6-[(1'S,3R)-5-methoxy-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-1H-indazol-3-yl]amino]-N-(3-methyloxetan-3-yl)pyridine-3-sulfonamide
SMILESCOc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ncc(S(=O)(=O)NC5(C)COC5)cc4OC)n[nH]c3c1)C(=O)N2
InChIInChI=1S/C28H28N6O6S/c1-27(13-40-14-27)34-41(36,37)17-10-23(39-3)25(29-12-17)31-24-18-6-4-15(8-22(18)32-33-24)20-11-28(20)19-9-16(38-2)5-7-21(19)30-26(28)35/h4-10,12,20,34H,11,13-14H2,1-3H3,(H,30,35)(H2,29,31,32,33)/t20-,28-/m0/s1
InChIKeyCODJRIKNYSCBSA-MMTVBGGISA-N
XLogP3.16
TPSA156.56 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.64
LogP ≤ 53.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 5-methoxy-6-[[6-[(1'S,3R)-5-methoxy-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-1H-indazol-3-yl]amino]-N-(3-methyloxetan-3-yl)pyridine-3-sulfonamide with MolForge

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Related Compounds

(2'S,3R)-5-methoxy-2'-[3-[(3-methoxy-5-propan-2-ylsulfonyl-2-pyridinyl)amino]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 166129270
5-methoxy-6-[[6-[(1'S,3R)-5-methoxy-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-1H-indazol-3-yl]amino]-N,N-dimethylpyridine-3-sulfonamide
CID 166128892
2,5-dimethoxy-4-[[6-[(1'S,3R)-5-methoxy-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-1H-indazol-3-yl]amino]benzenesulfonamide
CID 166128506
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-[(2-ethoxy-6-methylsulfonyl-3-pyridinyl)amino]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 166129177
(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
4-methoxy-3-[[6-[(1'S,3R)-5-methoxy-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-1H-indazol-3-yl]amino]-N-methylbenzamide
CID 166129028
6-methoxy-5-[[6-[(1'S,3R)-5-methoxy-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-1H-indazol-3-yl]amino]-N,N-dimethylpyridine-3-carboxamide
CID 166129520
2'-[3-[5-fluoro-2-methoxy-4-(morpholine-4-carbonyl)anilino]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 174218288
6-methoxy-5-[[6-[(1'S,3R)-5-methoxy-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-1H-indazol-3-yl]amino]-N-methyl-N-propan-2-ylpyridine-2-carboxamide
CID 166129501
(2'S,3R)-5-methoxy-2'-[3-[[2-methoxy-6-(3-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl)-3-pyridinyl]amino]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 166128976

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-[[6-[(1'S,3R)-5-methoxy-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-1H-indazol-3-yl]amino]-N-(3-methyloxetan-3-yl)pyridine-3-sulfonamide?
The IUPAC name of 5-methoxy-6-[[6-[(1'S,3R)-5-methoxy-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-1H-indazol-3-yl]amino]-N-(3-methyloxetan-3-yl)pyridine-3-sulfonamide (CID 166128783) is 5-methoxy-6-[[6-[(1'S,3R)-5-methoxy-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-1H-indazol-3-yl]amino]-N-(3-methyloxetan-3-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-methoxy-6-[[6-[(1'S,3R)-5-methoxy-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-1H-indazol-3-yl]amino]-N-(3-methyloxetan-3-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5-methoxy-6-[[6-[(1'S,3R)-5-methoxy-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-1H-indazol-3-yl]amino]-N-(3-methyloxetan-3-yl)pyridine-3-sulfonamide is COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ncc(S(=O)(=O)NC5(C)COC5)cc4OC)n[nH]c3c1)C(=O)N2.
What is the InChIKey of 5-methoxy-6-[[6-[(1'S,3R)-5-methoxy-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-1H-indazol-3-yl]amino]-N-(3-methyloxetan-3-yl)pyridine-3-sulfonamide?
The InChIKey is CODJRIKNYSCBSA-MMTVBGGISA-N. The full InChI is InChI=1S/C28H28N6O6S/c1-27(13-40-14-27)34-41(36,37)17-10-23(39-3)25(29-12-17)31-24-18-6-4-15(8-22(18)32-33-24)20-11-28(20)19-9-16(38-2)5-7-21(19)30-26(28)35/h4-10,12,20,34H,11,13-14H2,1-3H3,(H,30,35)(H2,29,31,32,33)/t20-,28-/m0/s1.
What are the key properties of 5-methoxy-6-[[6-[(1'S,3R)-5-methoxy-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-1H-indazol-3-yl]amino]-N-(3-methyloxetan-3-yl)pyridine-3-sulfonamide?
5-methoxy-6-[[6-[(1'S,3R)-5-methoxy-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-1H-indazol-3-yl]amino]-N-(3-methyloxetan-3-yl)pyridine-3-sulfonamide has a molecular weight of 576.64 g/mol, XLogP of 3.16, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-[[6-[(1'S,3R)-5-methoxy-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-1H-indazol-3-yl]amino]-N-(3-methyloxetan-3-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 166128783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).