2'-[3-[(5-chloropyrimidin-4-yl)amino]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one

C22H17ClN6O2 — CID 166129145

IUPAC2'-[3-[(5-chloropyrimidin-4-yl)amino]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCOc1ccc2c(c1)C1(CC1c1ccc3c(Nc4ncncc4Cl)n[nH]c3c1)C(=O)N2
InChIInChI=1S/C22H17ClN6O2/c1-31-12-3-5-17-14(7-12)22(21(30)26-17)8-15(22)11-2-4-13-18(6-11)28-29-19(13)27-20-16(23)9-24-10-25-20/h2-7,9-10,15H,8H2,1H3,(H,26,30)(H2,24,25,27,28,29)
InChIKeyWQLHTTLATAQIEQ-UHFFFAOYSA-N
MW432.87 g/mol
LogP4.14
Rot. Bonds4

About 2'-[3-[(5-chloropyrimidin-4-yl)amino]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one

2'-[3-[(5-chloropyrimidin-4-yl)amino]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 166129145) has the molecular formula C22H17ClN6O2 and a molecular weight of 432.87 g/mol. Its IUPAC name is 2'-[3-[(5-chloropyrimidin-4-yl)amino]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name2'-[3-[(5-chloropyrimidin-4-yl)amino]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID166129145
Molecular FormulaC22H17ClN6O2
Molecular Weight432.87 g/mol
Exact Mass432.11
IUPAC Name2'-[3-[(5-chloropyrimidin-4-yl)amino]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCOc1ccc2c(c1)C1(CC1c1ccc3c(Nc4ncncc4Cl)n[nH]c3c1)C(=O)N2
InChIInChI=1S/C22H17ClN6O2/c1-31-12-3-5-17-14(7-12)22(21(30)26-17)8-15(22)11-2-4-13-18(6-11)28-29-19(13)27-20-16(23)9-24-10-25-20/h2-7,9-10,15H,8H2,1H3,(H,26,30)(H2,24,25,27,28,29)
InChIKeyWQLHTTLATAQIEQ-UHFFFAOYSA-N
XLogP4.14
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.87
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(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)-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'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
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
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)-2'-[3-[(2-ethoxy-6-methylsulfonyl-3-pyridinyl)amino]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 166129177
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
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)-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-4-[[6-[(1'S,3R)-5-methoxy-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-1H-indazol-3-yl]amino]-6-morpholin-4-ylpyrimidine-2-carbonitrile
CID 166129151

Frequently Asked Questions

What is the IUPAC name of 2'-[3-[(5-chloropyrimidin-4-yl)amino]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of 2'-[3-[(5-chloropyrimidin-4-yl)amino]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one (CID 166129145) is 2'-[3-[(5-chloropyrimidin-4-yl)amino]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 2'-[3-[(5-chloropyrimidin-4-yl)amino]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for 2'-[3-[(5-chloropyrimidin-4-yl)amino]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one is COc1ccc2c(c1)C1(CC1c1ccc3c(Nc4ncncc4Cl)n[nH]c3c1)C(=O)N2.
What is the InChIKey of 2'-[3-[(5-chloropyrimidin-4-yl)amino]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is WQLHTTLATAQIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN6O2/c1-31-12-3-5-17-14(7-12)22(21(30)26-17)8-15(22)11-2-4-13-18(6-11)28-29-19(13)27-20-16(23)9-24-10-25-20/h2-7,9-10,15H,8H2,1H3,(H,26,30)(H2,24,25,27,28,29).
What are the key properties of 2'-[3-[(5-chloropyrimidin-4-yl)amino]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one?
2'-[3-[(5-chloropyrimidin-4-yl)amino]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 432.87 g/mol, XLogP of 4.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-[3-[(5-chloropyrimidin-4-yl)amino]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 166129145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).