(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

C24H20ClN5O2 — CID 170328876

IUPAC(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
SMILESCOc1ccc2c(c1)[C@@]1(C[C@H]1c1ccc3c(Nc4cc(C)ncc4Cl)n[nH]c3c1)C(=O)N2
InChIInChI=1S/C24H20ClN5O2/c1-12-7-21(18(25)11-26-12)27-22-15-5-3-13(8-20(15)29-30-22)17-10-24(17)16-9-14(32-2)4-6-19(16)28-23(24)31/h3-9,11,17H,10H2,1-2H3,(H,28,31)(H2,26,27,29,30)/t17-,24+/m0/s1
InChIKeyIRERYLWREZIACV-BXKMTCNYSA-N
MW445.91 g/mol
LogP5.05
Rot. Bonds4

About (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

(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 (PubChem CID 170328876) has the molecular formula C24H20ClN5O2 and a molecular weight of 445.91 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID170328876
Molecular FormulaC24H20ClN5O2
Molecular Weight445.91 g/mol
Exact Mass445.13
IUPAC Name(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
SMILESCOc1ccc2c(c1)[C@@]1(C[C@H]1c1ccc3c(Nc4cc(C)ncc4Cl)n[nH]c3c1)C(=O)N2
InChIInChI=1S/C24H20ClN5O2/c1-12-7-21(18(25)11-26-12)27-22-15-5-3-13(8-20(15)29-30-22)17-10-24(17)16-9-14(32-2)4-6-19(16)28-23(24)31/h3-9,11,17H,10H2,1-2H3,(H,28,31)(H2,26,27,29,30)/t17-,24+/m0/s1
InChIKeyIRERYLWREZIACV-BXKMTCNYSA-N
XLogP5.05
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.91
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

2'-[3-[(5-chloropyrimidin-4-yl)amino]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 166129145
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'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
2,5-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
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'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
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
(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
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
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
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
(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 (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1ccc2c(c1)[C@@]1(C[C@H]1c1ccc3c(Nc4cc(C)ncc4Cl)n[nH]c3c1)C(=O)N2.
What is the InChIKey of (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?
The InChIKey is IRERYLWREZIACV-BXKMTCNYSA-N. The full InChI is InChI=1S/C24H20ClN5O2/c1-12-7-21(18(25)11-26-12)27-22-15-5-3-13(8-20(15)29-30-22)17-10-24(17)16-9-14(32-2)4-6-19(16)28-23(24)31/h3-9,11,17H,10H2,1-2H3,(H,28,31)(H2,26,27,29,30)/t17-,24+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 445.91 g/mol, XLogP of 5.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 170328876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).