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

C22H23Cl2N5O — CID 10789419

IUPAC(3,4-dichlorophenyl)-[4-[[[6-(1H-pyrazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-c3ccn[nH]3)n2)CC1
InChIInChI=1S/C22H23Cl2N5O/c23-18-5-4-16(12-19(18)24)22(30)29-10-7-15(8-11-29)13-25-14-17-2-1-3-20(27-17)21-6-9-26-28-21/h1-6,9,12,15,25H,7-8,10-11,13-14H2,(H,26,28)
InChIKeyFOYMTZMTURRROB-UHFFFAOYSA-N
MW444.37 g/mol
LogP4.42
Rot. Bonds6

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

(3,4-dichlorophenyl)-[4-[[[6-(1H-pyrazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone (PubChem CID 10789419) has the molecular formula C22H23Cl2N5O and a molecular weight of 444.37 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[4-[[[6-(1H-pyrazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[4-[[[6-(1H-pyrazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
PubChem CID10789419
Molecular FormulaC22H23Cl2N5O
Molecular Weight444.37 g/mol
Exact Mass443.13
IUPAC Name(3,4-dichlorophenyl)-[4-[[[6-(1H-pyrazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-c3ccn[nH]3)n2)CC1
InChIInChI=1S/C22H23Cl2N5O/c23-18-5-4-16(12-19(18)24)22(30)29-10-7-15(8-11-29)13-25-14-17-2-1-3-20(27-17)21-6-9-26-28-21/h1-6,9,12,15,25H,7-8,10-11,13-14H2,(H,26,28)
InChIKeyFOYMTZMTURRROB-UHFFFAOYSA-N
XLogP4.42
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.37
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-Benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 135449325
(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-[[[6-(1H-pyrazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10694660
(3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(1H-pyrazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10813901
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 16324174
4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 135453331
4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-N-ethyl-N-methyl-1H-pyrrole-2-carboxamide
CID 135523935
N-Benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-N-methyl-1H-pyrrole-2-carboxamide
CID 135523938
4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-N-(2-(pyridin-3-yl)-ethyl)-1H-pyrrole-2-carboxamide
CID 135523940
4-(3-chlorophenyl)-3-[5-(pyrrolidin-1-ylcarbonyl)-1H-pyrrol-3-yl]-1H-pyrazole
CID 135523954
2-({4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-1H-pyrrol-2-yl}carbonyl)-1,2,3,4-tetrahydroisoquinoline
CID 135523958
4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide
CID 135529466

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[4-[[[6-(1H-pyrazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[4-[[[6-(1H-pyrazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone (CID 10789419) is (3,4-dichlorophenyl)-[4-[[[6-(1H-pyrazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[4-[[[6-(1H-pyrazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[4-[[[6-(1H-pyrazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-c3ccn[nH]3)n2)CC1.
What is the InChIKey of (3,4-dichlorophenyl)-[4-[[[6-(1H-pyrazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
The InChIKey is FOYMTZMTURRROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N5O/c23-18-5-4-16(12-19(18)24)22(30)29-10-7-15(8-11-29)13-25-14-17-2-1-3-20(27-17)21-6-9-26-28-21/h1-6,9,12,15,25H,7-8,10-11,13-14H2,(H,26,28).
What are the key properties of (3,4-dichlorophenyl)-[4-[[[6-(1H-pyrazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
(3,4-dichlorophenyl)-[4-[[[6-(1H-pyrazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone has a molecular weight of 444.37 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[4-[[[6-(1H-pyrazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 10789419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).