1-[1-(4-indazol-2-yl-3-pyridinyl)piperidine-4-carbonyl]pyrrolidine-2-carbonitrile

C23H24N6O — CID 130222617

IUPAC1-[1-(4-indazol-2-yl-3-pyridinyl)piperidine-4-carbonyl]pyrrolidine-2-carbonitrile
SMILESN#CC1CCCN1C(=O)C1CCN(c2cnccc2-n2cc3ccccc3n2)CC1
InChIInChI=1S/C23H24N6O/c24-14-19-5-3-11-28(19)23(30)17-8-12-27(13-9-17)22-15-25-10-7-21(22)29-16-18-4-1-2-6-20(18)26-29/h1-2,4,6-7,10,15-17,19H,3,5,8-9,11-13H2
InChIKeyXLMAHHLPPXNHHI-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.15
Rot. Bonds3

About 1-[1-(4-indazol-2-yl-3-pyridinyl)piperidine-4-carbonyl]pyrrolidine-2-carbonitrile

1-[1-(4-indazol-2-yl-3-pyridinyl)piperidine-4-carbonyl]pyrrolidine-2-carbonitrile (PubChem CID 130222617) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 1-[1-(4-indazol-2-yl-3-pyridinyl)piperidine-4-carbonyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name1-[1-(4-indazol-2-yl-3-pyridinyl)piperidine-4-carbonyl]pyrrolidine-2-carbonitrile
PubChem CID130222617
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name1-[1-(4-indazol-2-yl-3-pyridinyl)piperidine-4-carbonyl]pyrrolidine-2-carbonitrile
SMILESN#CC1CCCN1C(=O)C1CCN(c2cnccc2-n2cc3ccccc3n2)CC1
InChIInChI=1S/C23H24N6O/c24-14-19-5-3-11-28(19)23(30)17-8-12-27(13-9-17)22-15-25-10-7-21(22)29-16-18-4-1-2-6-20(18)26-29/h1-2,4,6-7,10,15-17,19H,3,5,8-9,11-13H2
InChIKeyXLMAHHLPPXNHHI-UHFFFAOYSA-N
XLogP3.15
TPSA78.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-indazol-2-yl-3-pyridinyl)piperidine-4-carbonyl]pyrrolidine-2-carbonitrile?
The IUPAC name of 1-[1-(4-indazol-2-yl-3-pyridinyl)piperidine-4-carbonyl]pyrrolidine-2-carbonitrile (CID 130222617) is 1-[1-(4-indazol-2-yl-3-pyridinyl)piperidine-4-carbonyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for 1-[1-(4-indazol-2-yl-3-pyridinyl)piperidine-4-carbonyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for 1-[1-(4-indazol-2-yl-3-pyridinyl)piperidine-4-carbonyl]pyrrolidine-2-carbonitrile is N#CC1CCCN1C(=O)C1CCN(c2cnccc2-n2cc3ccccc3n2)CC1.
What is the InChIKey of 1-[1-(4-indazol-2-yl-3-pyridinyl)piperidine-4-carbonyl]pyrrolidine-2-carbonitrile?
The InChIKey is XLMAHHLPPXNHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c24-14-19-5-3-11-28(19)23(30)17-8-12-27(13-9-17)22-15-25-10-7-21(22)29-16-18-4-1-2-6-20(18)26-29/h1-2,4,6-7,10,15-17,19H,3,5,8-9,11-13H2.
What are the key properties of 1-[1-(4-indazol-2-yl-3-pyridinyl)piperidine-4-carbonyl]pyrrolidine-2-carbonitrile?
1-[1-(4-indazol-2-yl-3-pyridinyl)piperidine-4-carbonyl]pyrrolidine-2-carbonitrile has a molecular weight of 400.49 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-indazol-2-yl-3-pyridinyl)piperidine-4-carbonyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 130222617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).