4-[6-[[3-(2-chloro-3,6-difluorophenyl)-1,2-oxazol-5-yl]methoxy]-3-pyridinyl]-N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-4-hydroxypiperidine-3-carboxamide

C34H34Cl2F2N4O5 — CID 142697617

IUPAC4-[6-[[3-(2-chloro-3,6-difluorophenyl)-1,2-oxazol-5-yl]methoxy]-3-pyridinyl]-N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-4-hydroxypiperidine-3-carboxamide
SMILESCOCCc1ccc(Cl)c(CN(C(=O)C2CNCCC2(O)c2ccc(OCc3cc(-c4c(F)ccc(F)c4Cl)no3)nc2)C2CC2)c1
InChIInChI=1S/C34H34Cl2F2N4O5/c1-45-13-10-20-2-6-26(35)21(14-20)18-42(23-4-5-23)33(43)25-17-39-12-11-34(25,44)22-3-9-30(40-16-22)46-19-24-15-29(41-47-24)31-27(37)7-8-28(38)32(31)36/h2-3,6-9,14-16,23,25,39,44H,4-5,10-13,17-19H2,1H3
InChIKeyFUHOOMATFXHPLV-UHFFFAOYSA-N
MW687.57 g/mol
LogP6.08
Rot. Bonds12

About 4-[6-[[3-(2-chloro-3,6-difluorophenyl)-1,2-oxazol-5-yl]methoxy]-3-pyridinyl]-N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-4-hydroxypiperidine-3-carboxamide

4-[6-[[3-(2-chloro-3,6-difluorophenyl)-1,2-oxazol-5-yl]methoxy]-3-pyridinyl]-N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-4-hydroxypiperidine-3-carboxamide (PubChem CID 142697617) has the molecular formula C34H34Cl2F2N4O5 and a molecular weight of 687.57 g/mol. Its IUPAC name is 4-[6-[[3-(2-chloro-3,6-difluorophenyl)-1,2-oxazol-5-yl]methoxy]-3-pyridinyl]-N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-4-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name4-[6-[[3-(2-chloro-3,6-difluorophenyl)-1,2-oxazol-5-yl]methoxy]-3-pyridinyl]-N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-4-hydroxypiperidine-3-carboxamide
PubChem CID142697617
Molecular FormulaC34H34Cl2F2N4O5
Molecular Weight687.57 g/mol
Exact Mass686.19
IUPAC Name4-[6-[[3-(2-chloro-3,6-difluorophenyl)-1,2-oxazol-5-yl]methoxy]-3-pyridinyl]-N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-4-hydroxypiperidine-3-carboxamide
SMILESCOCCc1ccc(Cl)c(CN(C(=O)C2CNCCC2(O)c2ccc(OCc3cc(-c4c(F)ccc(F)c4Cl)no3)nc2)C2CC2)c1
InChIInChI=1S/C34H34Cl2F2N4O5/c1-45-13-10-20-2-6-26(35)21(14-20)18-42(23-4-5-23)33(43)25-17-39-12-11-34(25,44)22-3-9-30(40-16-22)46-19-24-15-29(41-47-24)31-27(37)7-8-28(38)32(31)36/h2-3,6-9,14-16,23,25,39,44H,4-5,10-13,17-19H2,1H3
InChIKeyFUHOOMATFXHPLV-UHFFFAOYSA-N
XLogP6.08
TPSA109.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.57
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4-[6-[[3-(2-chloro-3,6-difluorophenyl)-1,2-oxazol-5-yl]methoxy]-3-pyridinyl]-N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-4-hydroxypiperidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[[3-(2-chloro-3,6-difluorophenyl)-1,2-oxazol-5-yl]methoxy]-3-pyridinyl]-N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-4-hydroxypiperidine-3-carboxamide?
The IUPAC name of 4-[6-[[3-(2-chloro-3,6-difluorophenyl)-1,2-oxazol-5-yl]methoxy]-3-pyridinyl]-N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-4-hydroxypiperidine-3-carboxamide (CID 142697617) is 4-[6-[[3-(2-chloro-3,6-difluorophenyl)-1,2-oxazol-5-yl]methoxy]-3-pyridinyl]-N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-4-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for 4-[6-[[3-(2-chloro-3,6-difluorophenyl)-1,2-oxazol-5-yl]methoxy]-3-pyridinyl]-N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-4-hydroxypiperidine-3-carboxamide?
The canonical SMILES for 4-[6-[[3-(2-chloro-3,6-difluorophenyl)-1,2-oxazol-5-yl]methoxy]-3-pyridinyl]-N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-4-hydroxypiperidine-3-carboxamide is COCCc1ccc(Cl)c(CN(C(=O)C2CNCCC2(O)c2ccc(OCc3cc(-c4c(F)ccc(F)c4Cl)no3)nc2)C2CC2)c1.
What is the InChIKey of 4-[6-[[3-(2-chloro-3,6-difluorophenyl)-1,2-oxazol-5-yl]methoxy]-3-pyridinyl]-N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-4-hydroxypiperidine-3-carboxamide?
The InChIKey is FUHOOMATFXHPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34Cl2F2N4O5/c1-45-13-10-20-2-6-26(35)21(14-20)18-42(23-4-5-23)33(43)25-17-39-12-11-34(25,44)22-3-9-30(40-16-22)46-19-24-15-29(41-47-24)31-27(37)7-8-28(38)32(31)36/h2-3,6-9,14-16,23,25,39,44H,4-5,10-13,17-19H2,1H3.
What are the key properties of 4-[6-[[3-(2-chloro-3,6-difluorophenyl)-1,2-oxazol-5-yl]methoxy]-3-pyridinyl]-N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-4-hydroxypiperidine-3-carboxamide?
4-[6-[[3-(2-chloro-3,6-difluorophenyl)-1,2-oxazol-5-yl]methoxy]-3-pyridinyl]-N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-4-hydroxypiperidine-3-carboxamide has a molecular weight of 687.57 g/mol, XLogP of 6.08, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[[3-(2-chloro-3,6-difluorophenyl)-1,2-oxazol-5-yl]methoxy]-3-pyridinyl]-N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-4-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 142697617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).