(3,5-dichlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone

C22H23Cl2N5O — CID 11797540

IUPAC(3,5-dichlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
SMILESO=C(c1cc(Cl)cc(Cl)c1)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1
InChIInChI=1S/C22H23Cl2N5O/c23-18-11-17(12-19(24)13-18)22(30)28-9-5-16(6-10-28)14-25-15-20-3-1-4-21(27-20)29-8-2-7-26-29/h1-4,7-8,11-13,16,25H,5-6,9-10,14-15H2
InChIKeyXKSKSZQDVSSKGJ-UHFFFAOYSA-N
MW444.37 g/mol
LogP4.22
Rot. Bonds6

About (3,5-dichlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone

(3,5-dichlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone (PubChem CID 11797540) has the molecular formula C22H23Cl2N5O and a molecular weight of 444.37 g/mol. Its IUPAC name is (3,5-dichlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dichlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
PubChem CID11797540
Molecular FormulaC22H23Cl2N5O
Molecular Weight444.37 g/mol
Exact Mass443.13
IUPAC Name(3,5-dichlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
SMILESO=C(c1cc(Cl)cc(Cl)c1)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1
InChIInChI=1S/C22H23Cl2N5O/c23-18-11-17(12-19(24)13-18)22(30)28-9-5-16(6-10-28)14-25-15-20-3-1-4-21(27-20)29-8-2-7-26-29/h1-4,7-8,11-13,16,25H,5-6,9-10,14-15H2
InChIKeyXKSKSZQDVSSKGJ-UHFFFAOYSA-N
XLogP4.22
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.37
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The IUPAC name of (3,5-dichlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone (CID 11797540) is (3,5-dichlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dichlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dichlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone is O=C(c1cc(Cl)cc(Cl)c1)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1.
What is the InChIKey of (3,5-dichlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The InChIKey is XKSKSZQDVSSKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N5O/c23-18-11-17(12-19(24)13-18)22(30)28-9-5-16(6-10-28)14-25-15-20-3-1-4-21(27-20)29-8-2-7-26-29/h1-4,7-8,11-13,16,25H,5-6,9-10,14-15H2.
What are the key properties of (3,5-dichlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
(3,5-dichlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone has a molecular weight of 444.37 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 11797540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).