3-indazol-1-yl-1-[(2S)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]piperidin-1-yl]propan-1-one

C26H37N5O2 — CID 125019809

IUPAC3-indazol-1-yl-1-[(2S)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]piperidin-1-yl]propan-1-one
SMILESO=C(CN1CCC([C@@H]2CCCCN2C(=O)CCn2ncc3ccccc32)CC1)N1CCCC1
InChIInChI=1S/C26H37N5O2/c32-25(12-18-31-24-9-2-1-7-22(24)19-27-31)30-15-4-3-8-23(30)21-10-16-28(17-11-21)20-26(33)29-13-5-6-14-29/h1-2,7,9,19,21,23H,3-6,8,10-18,20H2/t23-/m0/s1
InChIKeyXYNJJZVSAWTZTC-QHCPKHFHSA-N
MW451.62 g/mol
LogP3.14
Rot. Bonds6

About 3-indazol-1-yl-1-[(2S)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]piperidin-1-yl]propan-1-one

3-indazol-1-yl-1-[(2S)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]piperidin-1-yl]propan-1-one (PubChem CID 125019809) has the molecular formula C26H37N5O2 and a molecular weight of 451.62 g/mol. Its IUPAC name is 3-indazol-1-yl-1-[(2S)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-indazol-1-yl-1-[(2S)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]piperidin-1-yl]propan-1-one
PubChem CID125019809
Molecular FormulaC26H37N5O2
Molecular Weight451.62 g/mol
Exact Mass451.29
IUPAC Name3-indazol-1-yl-1-[(2S)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]piperidin-1-yl]propan-1-one
SMILESO=C(CN1CCC([C@@H]2CCCCN2C(=O)CCn2ncc3ccccc32)CC1)N1CCCC1
InChIInChI=1S/C26H37N5O2/c32-25(12-18-31-24-9-2-1-7-22(24)19-27-31)30-15-4-3-8-23(30)21-10-16-28(17-11-21)20-26(33)29-13-5-6-14-29/h1-2,7,9,19,21,23H,3-6,8,10-18,20H2/t23-/m0/s1
InChIKeyXYNJJZVSAWTZTC-QHCPKHFHSA-N
XLogP3.14
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.62
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

1-[(2S)-2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]piperidin-1-yl]-3-indazol-1-ylpropan-1-one
CID 129453393
1-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-indazol-1-ylethanone
CID 95324191
1-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-indazol-1-ylethanone
CID 95324189
1-[3-[(2S)-2-cyclopentylpyrrolidin-1-yl]-3-oxopropyl]cinnolin-4-one
CID 94637302
1-[3-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-oxopropyl]cinnolin-4-one
CID 9489683
1-(2-indazol-1-ylacetyl)piperidine-3-carboxylic acid
CID 102553180
1-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one
CID 125022823
3-indazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95829634
(2R,5S)-5-[1-(2-indazol-1-ylacetyl)piperidin-4-yl]oxolane-2-carboxylic acid
CID 154789058
1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one
CID 110259297
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone
CID 111562018
1-[2-oxo-2-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]ethyl]piperidine-4-carboxamide
CID 124991852

Frequently Asked Questions

What is the IUPAC name of 3-indazol-1-yl-1-[(2S)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-indazol-1-yl-1-[(2S)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]piperidin-1-yl]propan-1-one (CID 125019809) is 3-indazol-1-yl-1-[(2S)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-indazol-1-yl-1-[(2S)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-indazol-1-yl-1-[(2S)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]piperidin-1-yl]propan-1-one is O=C(CN1CCC([C@@H]2CCCCN2C(=O)CCn2ncc3ccccc32)CC1)N1CCCC1.
What is the InChIKey of 3-indazol-1-yl-1-[(2S)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]piperidin-1-yl]propan-1-one?
The InChIKey is XYNJJZVSAWTZTC-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H37N5O2/c32-25(12-18-31-24-9-2-1-7-22(24)19-27-31)30-15-4-3-8-23(30)21-10-16-28(17-11-21)20-26(33)29-13-5-6-14-29/h1-2,7,9,19,21,23H,3-6,8,10-18,20H2/t23-/m0/s1.
What are the key properties of 3-indazol-1-yl-1-[(2S)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]piperidin-1-yl]propan-1-one?
3-indazol-1-yl-1-[(2S)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]piperidin-1-yl]propan-1-one has a molecular weight of 451.62 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indazol-1-yl-1-[(2S)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 125019809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).