(2-chlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone

C22H24ClN5O — CID 10501691

IUPAC(2-chlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1
InChIInChI=1S/C22H24ClN5O/c23-20-7-2-1-6-19(20)22(29)27-13-9-17(10-14-27)15-24-16-18-5-3-8-21(26-18)28-12-4-11-25-28/h1-8,11-12,17,24H,9-10,13-16H2
InChIKeyDTMVJVGRYJOBAH-UHFFFAOYSA-N
MW409.92 g/mol
LogP3.56
Rot. Bonds6

About (2-chlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone

(2-chlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone (PubChem CID 10501691) has the molecular formula C22H24ClN5O and a molecular weight of 409.92 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
PubChem CID10501691
Molecular FormulaC22H24ClN5O
Molecular Weight409.92 g/mol
Exact Mass409.17
IUPAC Name(2-chlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1
InChIInChI=1S/C22H24ClN5O/c23-20-7-2-1-6-19(20)22(29)27-13-9-17(10-14-27)15-24-16-18-5-3-8-21(26-18)28-12-4-11-25-28/h1-8,11-12,17,24H,9-10,13-16H2
InChIKeyDTMVJVGRYJOBAH-UHFFFAOYSA-N
XLogP3.56
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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8-[4-[2-[4-[3,5-Bis(Chloranyl)phenyl]piperidin-1-Yl]ethyl]pyrazol-1-Yl]-3~{h}-Pyrido[3,4-D]pyrimidin-4-One
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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone (CID 10501691) is (2-chlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone is O=C(c1ccccc1Cl)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1.
What is the InChIKey of (2-chlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The InChIKey is DTMVJVGRYJOBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O/c23-20-7-2-1-6-19(20)22(29)27-13-9-17(10-14-27)15-24-16-18-5-3-8-21(26-18)28-12-4-11-25-28/h1-8,11-12,17,24H,9-10,13-16H2.
What are the key properties of (2-chlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
(2-chlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone has a molecular weight of 409.92 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 10501691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).