5-methoxy-2'-[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one

C27H24N4O2 — CID 90956758

IUPAC5-methoxy-2'-[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCOc1ccc2c(c1)C1(CC1c1ccc3c(-c4ccc5c(c4)CNCC5)n[nH]c3c1)C(=O)N2
InChIInChI=1S/C27H24N4O2/c1-33-19-5-7-23-21(12-19)27(26(32)29-23)13-22(27)16-4-6-20-24(11-16)30-31-25(20)17-3-2-15-8-9-28-14-18(15)10-17/h2-7,10-12,22,28H,8-9,13-14H2,1H3,(H,29,32)(H,30,31)
InChIKeyUNNVOJBRFBSAJJ-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.26
Rot. Bonds3

About 5-methoxy-2'-[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one

5-methoxy-2'-[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 90956758) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 5-methoxy-2'-[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name5-methoxy-2'-[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID90956758
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC Name5-methoxy-2'-[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCOc1ccc2c(c1)C1(CC1c1ccc3c(-c4ccc5c(c4)CNCC5)n[nH]c3c1)C(=O)N2
InChIInChI=1S/C27H24N4O2/c1-33-19-5-7-23-21(12-19)27(26(32)29-23)13-22(27)16-4-6-20-24(11-16)30-31-25(20)17-3-2-15-8-9-28-14-18(15)10-17/h2-7,10-12,22,28H,8-9,13-14H2,1H3,(H,29,32)(H,30,31)
InChIKeyUNNVOJBRFBSAJJ-UHFFFAOYSA-N
XLogP4.26
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2'-[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of 5-methoxy-2'-[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one (CID 90956758) is 5-methoxy-2'-[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 5-methoxy-2'-[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for 5-methoxy-2'-[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one is COc1ccc2c(c1)C1(CC1c1ccc3c(-c4ccc5c(c4)CNCC5)n[nH]c3c1)C(=O)N2.
What is the InChIKey of 5-methoxy-2'-[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is UNNVOJBRFBSAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c1-33-19-5-7-23-21(12-19)27(26(32)29-23)13-22(27)16-4-6-20-24(11-16)30-31-25(20)17-3-2-15-8-9-28-14-18(15)10-17/h2-7,10-12,22,28H,8-9,13-14H2,1H3,(H,29,32)(H,30,31).
What are the key properties of 5-methoxy-2'-[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
5-methoxy-2'-[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 436.52 g/mol, XLogP of 4.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2'-[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 90956758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).