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

C27H25N5O3 — CID 58486131

IUPAC(2'S,3R)-5-methoxy-2'-[3-(6-morpholin-4-yl-3-pyridinyl)-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCOc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccc(N5CCOCC5)nc4)n[nH]c3c1)C(=O)N2
InChIInChI=1S/C27H25N5O3/c1-34-18-4-6-22-20(13-18)27(26(33)29-22)14-21(27)16-2-5-19-23(12-16)30-31-25(19)17-3-7-24(28-15-17)32-8-10-35-11-9-32/h2-7,12-13,15,21H,8-11,14H2,1H3,(H,29,33)(H,30,31)/t21-,27-/m0/s1
InChIKeyZWOUJAABXJJBDH-IDISGSTGSA-N
MW467.53 g/mol
LogP3.85
Rot. Bonds4

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

(2'S,3R)-5-methoxy-2'-[3-(6-morpholin-4-yl-3-pyridinyl)-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 58486131) has the molecular formula C27H25N5O3 and a molecular weight of 467.53 g/mol. Its IUPAC name is (2'S,3R)-5-methoxy-2'-[3-(6-morpholin-4-yl-3-pyridinyl)-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name(2'S,3R)-5-methoxy-2'-[3-(6-morpholin-4-yl-3-pyridinyl)-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID58486131
Molecular FormulaC27H25N5O3
Molecular Weight467.53 g/mol
Exact Mass467.20
IUPAC Name(2'S,3R)-5-methoxy-2'-[3-(6-morpholin-4-yl-3-pyridinyl)-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCOc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccc(N5CCOCC5)nc4)n[nH]c3c1)C(=O)N2
InChIInChI=1S/C27H25N5O3/c1-34-18-4-6-22-20(13-18)27(26(33)29-22)14-21(27)16-2-5-19-23(12-16)30-31-25(19)17-3-7-24(28-15-17)32-8-10-35-11-9-32/h2-7,12-13,15,21H,8-11,14H2,1H3,(H,29,33)(H,30,31)/t21-,27-/m0/s1
InChIKeyZWOUJAABXJJBDH-IDISGSTGSA-N
XLogP3.85
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-5-methoxy-2'-[3-(6-morpholin-4-yl-3-pyridinyl)-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of (2'S,3R)-5-methoxy-2'-[3-(6-morpholin-4-yl-3-pyridinyl)-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one (CID 58486131) is (2'S,3R)-5-methoxy-2'-[3-(6-morpholin-4-yl-3-pyridinyl)-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-(6-morpholin-4-yl-3-pyridinyl)-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for (2'S,3R)-5-methoxy-2'-[3-(6-morpholin-4-yl-3-pyridinyl)-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one is COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccc(N5CCOCC5)nc4)n[nH]c3c1)C(=O)N2.
What is the InChIKey of (2'S,3R)-5-methoxy-2'-[3-(6-morpholin-4-yl-3-pyridinyl)-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is ZWOUJAABXJJBDH-IDISGSTGSA-N. The full InChI is InChI=1S/C27H25N5O3/c1-34-18-4-6-22-20(13-18)27(26(33)29-22)14-21(27)16-2-5-19-23(12-16)30-31-25(19)17-3-7-24(28-15-17)32-8-10-35-11-9-32/h2-7,12-13,15,21H,8-11,14H2,1H3,(H,29,33)(H,30,31)/t21-,27-/m0/s1.
What are the key properties of (2'S,3R)-5-methoxy-2'-[3-(6-morpholin-4-yl-3-pyridinyl)-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
(2'S,3R)-5-methoxy-2'-[3-(6-morpholin-4-yl-3-pyridinyl)-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 467.53 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-5-methoxy-2'-[3-(6-morpholin-4-yl-3-pyridinyl)-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 58486131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).