(3,4-dichlorophenyl)-[4-fluoro-4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone

C22H22Cl2FN5O — CID 10742699

IUPAC(3,4-dichlorophenyl)-[4-fluoro-4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2cccc(-n3cccn3)n2)CC1
InChIInChI=1S/C22H22Cl2FN5O/c23-18-6-5-16(13-19(18)24)21(31)29-11-7-22(25,8-12-29)15-26-14-17-3-1-4-20(28-17)30-10-2-9-27-30/h1-6,9-10,13,26H,7-8,11-12,14-15H2
InChIKeyRIGJMEXZMQNBKZ-UHFFFAOYSA-N
MW462.36 g/mol
LogP4.31
Rot. Bonds6

About (3,4-dichlorophenyl)-[4-fluoro-4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone

(3,4-dichlorophenyl)-[4-fluoro-4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone (PubChem CID 10742699) has the molecular formula C22H22Cl2FN5O and a molecular weight of 462.36 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[4-fluoro-4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[4-fluoro-4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
PubChem CID10742699
Molecular FormulaC22H22Cl2FN5O
Molecular Weight462.36 g/mol
Exact Mass461.12
IUPAC Name(3,4-dichlorophenyl)-[4-fluoro-4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2cccc(-n3cccn3)n2)CC1
InChIInChI=1S/C22H22Cl2FN5O/c23-18-6-5-16(13-19(18)24)21(31)29-11-7-22(25,8-12-29)15-26-14-17-3-1-4-20(28-17)30-10-2-9-27-30/h1-6,9-10,13,26H,7-8,11-12,14-15H2
InChIKeyRIGJMEXZMQNBKZ-UHFFFAOYSA-N
XLogP4.31
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.36
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[4-fluoro-4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[4-fluoro-4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone (CID 10742699) is (3,4-dichlorophenyl)-[4-fluoro-4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[4-fluoro-4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[4-fluoro-4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2cccc(-n3cccn3)n2)CC1.
What is the InChIKey of (3,4-dichlorophenyl)-[4-fluoro-4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The InChIKey is RIGJMEXZMQNBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2FN5O/c23-18-6-5-16(13-19(18)24)21(31)29-11-7-22(25,8-12-29)15-26-14-17-3-1-4-20(28-17)30-10-2-9-27-30/h1-6,9-10,13,26H,7-8,11-12,14-15H2.
What are the key properties of (3,4-dichlorophenyl)-[4-fluoro-4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
(3,4-dichlorophenyl)-[4-fluoro-4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone has a molecular weight of 462.36 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[4-fluoro-4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 10742699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).