[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(3-fluoropyrrolidin-1-yl)methanone

C18H21ClFN5O — CID 129066107

IUPAC[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(3-fluoropyrrolidin-1-yl)methanone
SMILESO=C(C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1)N1CCC(F)C1
InChIInChI=1S/C18H21ClFN5O/c19-14-9-22-25(11-14)16-1-5-21-10-17(16)23-6-2-13(3-7-23)18(26)24-8-4-15(20)12-24/h1,5,9-11,13,15H,2-4,6-8,12H2
InChIKeyAZJYTYKUFGKDMH-UHFFFAOYSA-N
MW377.85 g/mol
LogP2.71
Rot. Bonds3

About [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(3-fluoropyrrolidin-1-yl)methanone

[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(3-fluoropyrrolidin-1-yl)methanone (PubChem CID 129066107) has the molecular formula C18H21ClFN5O and a molecular weight of 377.85 g/mol. Its IUPAC name is [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(3-fluoropyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(3-fluoropyrrolidin-1-yl)methanone
PubChem CID129066107
Molecular FormulaC18H21ClFN5O
Molecular Weight377.85 g/mol
Exact Mass377.14
IUPAC Name[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(3-fluoropyrrolidin-1-yl)methanone
SMILESO=C(C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1)N1CCC(F)C1
InChIInChI=1S/C18H21ClFN5O/c19-14-9-22-25(11-14)16-1-5-21-10-17(16)23-6-2-13(3-7-23)18(26)24-8-4-15(20)12-24/h1,5,9-11,13,15H,2-4,6-8,12H2
InChIKeyAZJYTYKUFGKDMH-UHFFFAOYSA-N
XLogP2.71
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 52.71
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]-(3-fluoropyrrolidin-1-yl)methanone?
The IUPAC name of [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(3-fluoropyrrolidin-1-yl)methanone (CID 129066107) is [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(3-fluoropyrrolidin-1-yl)methanone.
What is the SMILES notation for [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(3-fluoropyrrolidin-1-yl)methanone?
The canonical SMILES for [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(3-fluoropyrrolidin-1-yl)methanone is O=C(C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1)N1CCC(F)C1.
What is the InChIKey of [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(3-fluoropyrrolidin-1-yl)methanone?
The InChIKey is AZJYTYKUFGKDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN5O/c19-14-9-22-25(11-14)16-1-5-21-10-17(16)23-6-2-13(3-7-23)18(26)24-8-4-15(20)12-24/h1,5,9-11,13,15H,2-4,6-8,12H2.
What are the key properties of [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(3-fluoropyrrolidin-1-yl)methanone?
[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(3-fluoropyrrolidin-1-yl)methanone has a molecular weight of 377.85 g/mol, XLogP of 2.71, 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]-(3-fluoropyrrolidin-1-yl)methanone is sourced from PubChem (CID 129066107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).