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

C22H23Cl2N5O — CID 10789420

IUPAC(3,4-dichlorophenyl)-[4-[[(4-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cc(-n3cccn3)ccn2)CC1
InChIInChI=1S/C22H23Cl2N5O/c23-20-3-2-17(12-21(20)24)22(30)28-10-5-16(6-11-28)14-25-15-18-13-19(4-8-26-18)29-9-1-7-27-29/h1-4,7-9,12-13,16,25H,5-6,10-11,14-15H2
InChIKeyFGFQYKZDQPBWSH-UHFFFAOYSA-N
MW444.37 g/mol
LogP4.22
Rot. Bonds6

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

(3,4-dichlorophenyl)-[4-[[(4-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone (PubChem CID 10789420) has the molecular formula C22H23Cl2N5O and a molecular weight of 444.37 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[4-[[(4-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[4-[[(4-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
PubChem CID10789420
Molecular FormulaC22H23Cl2N5O
Molecular Weight444.37 g/mol
Exact Mass443.13
IUPAC Name(3,4-dichlorophenyl)-[4-[[(4-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cc(-n3cccn3)ccn2)CC1
InChIInChI=1S/C22H23Cl2N5O/c23-20-3-2-17(12-21(20)24)22(30)28-10-5-16(6-11-28)14-25-15-18-13-19(4-8-26-18)29-9-1-7-27-29/h1-4,7-9,12-13,16,25H,5-6,10-11,14-15H2
InChIKeyFGFQYKZDQPBWSH-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

Analyze (3,4-dichlorophenyl)-[4-[[(4-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(3-chloro-5-fluorophenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 137662068
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[(5-methyl-6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10647621
(3-chloro-4-fluorophenyl)-[4-fluoro-4-[[[6-(1H-pyrazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10694660
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10718220
(3,4-dichlorophenyl)-[4-[[[6-(1H-pyrazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10789419
(3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(1H-pyrazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10813901
(3,4-Dichlorophenyl)-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10835365
N-[(Pyridin-2-Yl)methyl]-4-[4-(Pyridin-4-Yl)-1h-Pyrazol-1-Yl]benzamide
CID 3685259
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 16324174
5-[(3,4-dichlorophenyl)methyl]-4-oxo-1-piperidin-4-yl-N-pyridin-4-ylpyrazolo[4,3-c]pyridine-7-carboxamide
CID 137333984
4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-(3-formylpyrazolo[1,5-a]pyridin-5-yl)butanamide
CID 137636351
N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]-1,3-dimethylpyrazole-4-carboxamide
CID 164624443

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[4-[[(4-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[4-[[(4-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone (CID 10789420) is (3,4-dichlorophenyl)-[4-[[(4-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[4-[[(4-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[4-[[(4-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cc(-n3cccn3)ccn2)CC1.
What is the InChIKey of (3,4-dichlorophenyl)-[4-[[(4-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The InChIKey is FGFQYKZDQPBWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N5O/c23-20-3-2-17(12-21(20)24)22(30)28-10-5-16(6-11-28)14-25-15-18-13-19(4-8-26-18)29-9-1-7-27-29/h1-4,7-9,12-13,16,25H,5-6,10-11,14-15H2.
What are the key properties of (3,4-dichlorophenyl)-[4-[[(4-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
(3,4-dichlorophenyl)-[4-[[(4-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 (3,4-dichlorophenyl)-[4-[[(4-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 10789420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).