[4-(2-fluorophenyl)piperazin-1-yl]-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone

C22H22FN5O — CID 109191619

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone
SMILESO=C(c1ccc(NCc2ccncc2)cn1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C22H22FN5O/c23-19-3-1-2-4-21(19)27-11-13-28(14-12-27)22(29)20-6-5-18(16-26-20)25-15-17-7-9-24-10-8-17/h1-10,16,25H,11-15H2
InChIKeyDKYUUJMPMYCBLZ-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.19
Rot. Bonds5

About [4-(2-fluorophenyl)piperazin-1-yl]-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone

[4-(2-fluorophenyl)piperazin-1-yl]-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone (PubChem CID 109191619) has the molecular formula C22H22FN5O and a molecular weight of 391.45 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone
PubChem CID109191619
Molecular FormulaC22H22FN5O
Molecular Weight391.45 g/mol
Exact Mass391.18
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone
SMILESO=C(c1ccc(NCc2ccncc2)cn1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C22H22FN5O/c23-19-3-1-2-4-21(19)27-11-13-28(14-12-27)22(29)20-6-5-18(16-26-20)25-15-17-7-9-24-10-8-17/h1-10,16,25H,11-15H2
InChIKeyDKYUUJMPMYCBLZ-UHFFFAOYSA-N
XLogP3.19
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(2-fluorophenyl)piperazin-1-yl]-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone with MolForge

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Related Compounds

[4-(2-fluorophenyl)piperazin-1-yl]-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109191334
[5-(pyridin-4-ylmethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181808
[5-(benzylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109188000
[5-(cyclohexylamino)-2-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109183120
(4-methylpiperidin-1-yl)-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone
CID 109183266
[2-(benzylamino)pyrimidin-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109255410
[5-[(4-methylphenyl)methylamino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109188753
[5-(benzylamino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184568
5-(pyridin-4-ylmethylamino)pyridine-2-carboxylic acid
CID 12640186
(4-ethylpiperazin-1-yl)-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methanone
CID 109186613
(4-methylpiperazin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109186273
4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213263

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone (CID 109191619) is [4-(2-fluorophenyl)piperazin-1-yl]-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone is O=C(c1ccc(NCc2ccncc2)cn1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone?
The InChIKey is DKYUUJMPMYCBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O/c23-19-3-1-2-4-21(19)27-11-13-28(14-12-27)22(29)20-6-5-18(16-26-20)25-15-17-7-9-24-10-8-17/h1-10,16,25H,11-15H2.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone has a molecular weight of 391.45 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 109191619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).