2-[1-(5-chloro-2-methoxy-4-pyridinyl)piperidin-4-yl]oxy-5-(3-methylpyrrolidin-1-yl)-3-(trifluoromethyl)pyridine

C22H26ClF3N4O2 — CID 134405064

IUPAC2-[1-(5-chloro-2-methoxy-4-pyridinyl)piperidin-4-yl]oxy-5-(3-methylpyrrolidin-1-yl)-3-(trifluoromethyl)pyridine
SMILESCOc1cc(N2CCC(Oc3ncc(N4CCC(C)C4)cc3C(F)(F)F)CC2)c(Cl)cn1
InChIInChI=1S/C22H26ClF3N4O2/c1-14-3-6-30(13-14)15-9-17(22(24,25)26)21(28-11-15)32-16-4-7-29(8-5-16)19-10-20(31-2)27-12-18(19)23/h9-12,14,16H,3-8,13H2,1-2H3
InChIKeySGILNBVZUKSYGA-UHFFFAOYSA-N
MW470.92 g/mol
LogP5.05
Rot. Bonds5

About 2-[1-(5-chloro-2-methoxy-4-pyridinyl)piperidin-4-yl]oxy-5-(3-methylpyrrolidin-1-yl)-3-(trifluoromethyl)pyridine

2-[1-(5-chloro-2-methoxy-4-pyridinyl)piperidin-4-yl]oxy-5-(3-methylpyrrolidin-1-yl)-3-(trifluoromethyl)pyridine (PubChem CID 134405064) has the molecular formula C22H26ClF3N4O2 and a molecular weight of 470.92 g/mol. Its IUPAC name is 2-[1-(5-chloro-2-methoxy-4-pyridinyl)piperidin-4-yl]oxy-5-(3-methylpyrrolidin-1-yl)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[1-(5-chloro-2-methoxy-4-pyridinyl)piperidin-4-yl]oxy-5-(3-methylpyrrolidin-1-yl)-3-(trifluoromethyl)pyridine
PubChem CID134405064
Molecular FormulaC22H26ClF3N4O2
Molecular Weight470.92 g/mol
Exact Mass470.17
IUPAC Name2-[1-(5-chloro-2-methoxy-4-pyridinyl)piperidin-4-yl]oxy-5-(3-methylpyrrolidin-1-yl)-3-(trifluoromethyl)pyridine
SMILESCOc1cc(N2CCC(Oc3ncc(N4CCC(C)C4)cc3C(F)(F)F)CC2)c(Cl)cn1
InChIInChI=1S/C22H26ClF3N4O2/c1-14-3-6-30(13-14)15-9-17(22(24,25)26)21(28-11-15)32-16-4-7-29(8-5-16)19-10-20(31-2)27-12-18(19)23/h9-12,14,16H,3-8,13H2,1-2H3
InChIKeySGILNBVZUKSYGA-UHFFFAOYSA-N
XLogP5.05
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.92
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-methoxy-4-[4-[4-(3-methylpyrrolidin-1-yl)phenoxy]piperidin-1-yl]pyridine
CID 134405112
3-butoxy-2-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxy-5-(3-methylpyrrolidin-1-yl)pyridine
CID 134405157
2-[(2S,3R)-1-[6-[1-(5-chloro-2-methoxy-4-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]-3-methylpyrrolidin-2-yl]acetic acid
CID 134411096
4-(4-benzylpiperidin-1-yl)-5-chloro-2-methoxypyridine
CID 141404877
5-chloro-4-[(3R,4R)-4-[4-[(3S,4S)-3,4-dimethyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenoxy]-3-methylpiperidin-1-yl]-2-methoxypyridine
CID 147192727
2-[1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)piperidin-4-yl]oxy-3-fluorophenyl]-4-methoxy-3-methylpyrrolidin-2-yl]acetic acid
CID 123885510
5-chloro-4-[4-[4-[(3S)-3-ethyl-4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenoxy]-3-fluoropiperidin-1-yl]-2-methoxypyridine
CID 144629801
5-chloro-4-[4-[(5-iodo-2-pyridinyl)oxy]-3-methylpiperidin-1-yl]-2-methoxypyridine
CID 118497284
5-ethyl-2-methoxy-4-[3-methyl-4-[[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine
CID 134405136
5-chloro-4-[4-(3,5-difluoro-4-pyrrolidin-1-ylphenoxy)-3-methylpiperidin-1-yl]-2-methoxypyridine
CID 144629737
4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]phenol
CID 70874734
2-[(2R,3R,4R)-1-[6-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxy-5-fluoro-3-pyridinyl]-3,4-dimethylpyrrolidin-2-yl]acetic acid
CID 130252400

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chloro-2-methoxy-4-pyridinyl)piperidin-4-yl]oxy-5-(3-methylpyrrolidin-1-yl)-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-[1-(5-chloro-2-methoxy-4-pyridinyl)piperidin-4-yl]oxy-5-(3-methylpyrrolidin-1-yl)-3-(trifluoromethyl)pyridine (CID 134405064) is 2-[1-(5-chloro-2-methoxy-4-pyridinyl)piperidin-4-yl]oxy-5-(3-methylpyrrolidin-1-yl)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[1-(5-chloro-2-methoxy-4-pyridinyl)piperidin-4-yl]oxy-5-(3-methylpyrrolidin-1-yl)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[1-(5-chloro-2-methoxy-4-pyridinyl)piperidin-4-yl]oxy-5-(3-methylpyrrolidin-1-yl)-3-(trifluoromethyl)pyridine is COc1cc(N2CCC(Oc3ncc(N4CCC(C)C4)cc3C(F)(F)F)CC2)c(Cl)cn1.
What is the InChIKey of 2-[1-(5-chloro-2-methoxy-4-pyridinyl)piperidin-4-yl]oxy-5-(3-methylpyrrolidin-1-yl)-3-(trifluoromethyl)pyridine?
The InChIKey is SGILNBVZUKSYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClF3N4O2/c1-14-3-6-30(13-14)15-9-17(22(24,25)26)21(28-11-15)32-16-4-7-29(8-5-16)19-10-20(31-2)27-12-18(19)23/h9-12,14,16H,3-8,13H2,1-2H3.
What are the key properties of 2-[1-(5-chloro-2-methoxy-4-pyridinyl)piperidin-4-yl]oxy-5-(3-methylpyrrolidin-1-yl)-3-(trifluoromethyl)pyridine?
2-[1-(5-chloro-2-methoxy-4-pyridinyl)piperidin-4-yl]oxy-5-(3-methylpyrrolidin-1-yl)-3-(trifluoromethyl)pyridine has a molecular weight of 470.92 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chloro-2-methoxy-4-pyridinyl)piperidin-4-yl]oxy-5-(3-methylpyrrolidin-1-yl)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 134405064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).