N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-[2-(3,4-difluorophenoxy)ethyl]piperidine-4-carboxamide

C32H34ClF2N5O3 — CID 44535692

IUPACN-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-[2-(3,4-difluorophenoxy)ethyl]piperidine-4-carboxamide
SMILESCC(C)(CNC(=O)C1CCN(CCOc2ccc(F)c(F)c2)CC1)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C32H34ClF2N5O3/c1-32(2,31-38-28(20-7-11-36-12-8-20)29(39-31)22-3-5-24(33)27(41)17-22)19-37-30(42)21-9-13-40(14-10-21)15-16-43-23-4-6-25(34)26(35)18-23/h3-8,11-12,17-18,21,41H,9-10,13-16,19H2,1-2H3,(H,37,42)(H,38,39)
InChIKeyGXTVZAVNOAHWGN-UHFFFAOYSA-N
MW610.11 g/mol
LogP5.96
Rot. Bonds10

About N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-[2-(3,4-difluorophenoxy)ethyl]piperidine-4-carboxamide

N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-[2-(3,4-difluorophenoxy)ethyl]piperidine-4-carboxamide (PubChem CID 44535692) has the molecular formula C32H34ClF2N5O3 and a molecular weight of 610.11 g/mol. Its IUPAC name is N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-[2-(3,4-difluorophenoxy)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-[2-(3,4-difluorophenoxy)ethyl]piperidine-4-carboxamide
PubChem CID44535692
Molecular FormulaC32H34ClF2N5O3
Molecular Weight610.11 g/mol
Exact Mass609.23
IUPAC NameN-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-[2-(3,4-difluorophenoxy)ethyl]piperidine-4-carboxamide
SMILESCC(C)(CNC(=O)C1CCN(CCOc2ccc(F)c(F)c2)CC1)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C32H34ClF2N5O3/c1-32(2,31-38-28(20-7-11-36-12-8-20)29(39-31)22-3-5-24(33)27(41)17-22)19-37-30(42)21-9-13-40(14-10-21)15-16-43-23-4-6-25(34)26(35)18-23/h3-8,11-12,17-18,21,41H,9-10,13-16,19H2,1-2H3,(H,37,42)(H,38,39)
InChIKeyGXTVZAVNOAHWGN-UHFFFAOYSA-N
XLogP5.96
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.11
LogP ≤ 55.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-[2-(3,4-difluorophenoxy)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-[2-(3,4-difluorophenoxy)ethyl]piperidine-4-carboxamide (CID 44535692) is N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-[2-(3,4-difluorophenoxy)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-[2-(3,4-difluorophenoxy)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-[2-(3,4-difluorophenoxy)ethyl]piperidine-4-carboxamide is CC(C)(CNC(=O)C1CCN(CCOc2ccc(F)c(F)c2)CC1)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1.
What is the InChIKey of N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-[2-(3,4-difluorophenoxy)ethyl]piperidine-4-carboxamide?
The InChIKey is GXTVZAVNOAHWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34ClF2N5O3/c1-32(2,31-38-28(20-7-11-36-12-8-20)29(39-31)22-3-5-24(33)27(41)17-22)19-37-30(42)21-9-13-40(14-10-21)15-16-43-23-4-6-25(34)26(35)18-23/h3-8,11-12,17-18,21,41H,9-10,13-16,19H2,1-2H3,(H,37,42)(H,38,39).
What are the key properties of N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-[2-(3,4-difluorophenoxy)ethyl]piperidine-4-carboxamide?
N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-[2-(3,4-difluorophenoxy)ethyl]piperidine-4-carboxamide has a molecular weight of 610.11 g/mol, XLogP of 5.96, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-[2-(3,4-difluorophenoxy)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 44535692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).