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

C23H22N6O3 — CID 166128507

IUPAC(2'S,3R)-5-methoxy-2'-[3-[(3-methoxy-1-methylpyrazol-4-yl)amino]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCOc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cn(C)nc4OC)n[nH]c3c1)C(=O)N2
InChIInChI=1S/C23H22N6O3/c1-29-11-19(21(28-29)32-3)24-20-14-6-4-12(8-18(14)26-27-20)16-10-23(16)15-9-13(31-2)5-7-17(15)25-22(23)30/h4-9,11,16H,10H2,1-3H3,(H,25,30)(H2,24,26,27)/t16-,23-/m0/s1
InChIKeyGTSAWXOXCVPESK-HJPURHCSSA-N
MW430.47 g/mol
LogP3.43
Rot. Bonds5

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

(2'S,3R)-5-methoxy-2'-[3-[(3-methoxy-1-methylpyrazol-4-yl)amino]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 166128507) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is (2'S,3R)-5-methoxy-2'-[3-[(3-methoxy-1-methylpyrazol-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-[(3-methoxy-1-methylpyrazol-4-yl)amino]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID166128507
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC Name(2'S,3R)-5-methoxy-2'-[3-[(3-methoxy-1-methylpyrazol-4-yl)amino]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCOc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cn(C)nc4OC)n[nH]c3c1)C(=O)N2
InChIInChI=1S/C23H22N6O3/c1-29-11-19(21(28-29)32-3)24-20-14-6-4-12(8-18(14)26-27-20)16-10-23(16)15-9-13(31-2)5-7-17(15)25-22(23)30/h4-9,11,16H,10H2,1-3H3,(H,25,30)(H2,24,26,27)/t16-,23-/m0/s1
InChIKeyGTSAWXOXCVPESK-HJPURHCSSA-N
XLogP3.43
TPSA106.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-5-methoxy-2'-[3-[(3-methoxy-1-methylpyrazol-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-[(3-methoxy-1-methylpyrazol-4-yl)amino]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one (CID 166128507) is (2'S,3R)-5-methoxy-2'-[3-[(3-methoxy-1-methylpyrazol-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-[(3-methoxy-1-methylpyrazol-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-[(3-methoxy-1-methylpyrazol-4-yl)amino]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one is COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cn(C)nc4OC)n[nH]c3c1)C(=O)N2.
What is the InChIKey of (2'S,3R)-5-methoxy-2'-[3-[(3-methoxy-1-methylpyrazol-4-yl)amino]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is GTSAWXOXCVPESK-HJPURHCSSA-N. The full InChI is InChI=1S/C23H22N6O3/c1-29-11-19(21(28-29)32-3)24-20-14-6-4-12(8-18(14)26-27-20)16-10-23(16)15-9-13(31-2)5-7-17(15)25-22(23)30/h4-9,11,16H,10H2,1-3H3,(H,25,30)(H2,24,26,27)/t16-,23-/m0/s1.
What are the key properties of (2'S,3R)-5-methoxy-2'-[3-[(3-methoxy-1-methylpyrazol-4-yl)amino]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
(2'S,3R)-5-methoxy-2'-[3-[(3-methoxy-1-methylpyrazol-4-yl)amino]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 430.47 g/mol, XLogP of 3.43, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-5-methoxy-2'-[3-[(3-methoxy-1-methylpyrazol-4-yl)amino]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 166128507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).