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

C28H27N5O3 — CID 67954539

IUPAC2'-[3-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCOc1ccc2c(c1)C1(CC1c1ccc3c(-c4ccc(N5CCC(O)CC5)nc4)n[nH]c3c1)C(=O)N2
InChIInChI=1S/C28H27N5O3/c1-36-19-4-6-23-21(13-19)28(27(35)30-23)14-22(28)16-2-5-20-24(12-16)31-32-26(20)17-3-7-25(29-15-17)33-10-8-18(34)9-11-33/h2-7,12-13,15,18,22,34H,8-11,14H2,1H3,(H,30,35)(H,31,32)
InChIKeyUOUWRLIIMOCVBC-UHFFFAOYSA-N
MW481.56 g/mol
LogP3.97
Rot. Bonds4

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

2'-[3-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 67954539) has the molecular formula C28H27N5O3 and a molecular weight of 481.56 g/mol. Its IUPAC name is 2'-[3-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name2'-[3-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID67954539
Molecular FormulaC28H27N5O3
Molecular Weight481.56 g/mol
Exact Mass481.21
IUPAC Name2'-[3-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCOc1ccc2c(c1)C1(CC1c1ccc3c(-c4ccc(N5CCC(O)CC5)nc4)n[nH]c3c1)C(=O)N2
InChIInChI=1S/C28H27N5O3/c1-36-19-4-6-23-21(13-19)28(27(35)30-23)14-22(28)16-2-5-20-24(12-16)31-32-26(20)17-3-7-25(29-15-17)33-10-8-18(34)9-11-33/h2-7,12-13,15,18,22,34H,8-11,14H2,1H3,(H,30,35)(H,31,32)
InChIKeyUOUWRLIIMOCVBC-UHFFFAOYSA-N
XLogP3.97
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2'-[3-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2'-[3-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of 2'-[3-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one (CID 67954539) is 2'-[3-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 2'-[3-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for 2'-[3-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one is COc1ccc2c(c1)C1(CC1c1ccc3c(-c4ccc(N5CCC(O)CC5)nc4)n[nH]c3c1)C(=O)N2.
What is the InChIKey of 2'-[3-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is UOUWRLIIMOCVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O3/c1-36-19-4-6-23-21(13-19)28(27(35)30-23)14-22(28)16-2-5-20-24(12-16)31-32-26(20)17-3-7-25(29-15-17)33-10-8-18(34)9-11-33/h2-7,12-13,15,18,22,34H,8-11,14H2,1H3,(H,30,35)(H,31,32).
What are the key properties of 2'-[3-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one?
2'-[3-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 481.56 g/mol, XLogP of 3.97, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-[3-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 67954539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).