[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone

C20H26ClN5O — CID 118450696

IUPAC[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone
SMILESCC1(C)CCCN1C(=O)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1
InChIInChI=1S/C20H26ClN5O/c1-20(2)7-3-9-25(20)19(27)15-5-10-24(11-6-15)18-13-22-8-4-17(18)26-14-16(21)12-23-26/h4,8,12-15H,3,5-7,9-11H2,1-2H3
InChIKeyIZQMKMGXDWENST-UHFFFAOYSA-N
MW387.92 g/mol
LogP3.54
Rot. Bonds3

About [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone

[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone (PubChem CID 118450696) has the molecular formula C20H26ClN5O and a molecular weight of 387.92 g/mol. Its IUPAC name is [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone
PubChem CID118450696
Molecular FormulaC20H26ClN5O
Molecular Weight387.92 g/mol
Exact Mass387.18
IUPAC Name[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone
SMILESCC1(C)CCCN1C(=O)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1
InChIInChI=1S/C20H26ClN5O/c1-20(2)7-3-9-25(20)19(27)15-5-10-24(11-6-15)18-13-22-8-4-17(18)26-14-16(21)12-23-26/h4,8,12-15H,3,5-7,9-11H2,1-2H3
InChIKeyIZQMKMGXDWENST-UHFFFAOYSA-N
XLogP3.54
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.92
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone (CID 118450696) is [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone is CC1(C)CCCN1C(=O)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1.
What is the InChIKey of [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is IZQMKMGXDWENST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN5O/c1-20(2)7-3-9-25(20)19(27)15-5-10-24(11-6-15)18-13-22-8-4-17(18)26-14-16(21)12-23-26/h4,8,12-15H,3,5-7,9-11H2,1-2H3.
What are the key properties of [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone?
[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 387.92 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 118450696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).