[(1R,2R,4R)-2-[(5-cyano-2-pyridinyl)oxy]-4-(4-fluorophenyl)cyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid

C23H25FN4O3 — CID 146240914

IUPAC[(1R,2R,4R)-2-[(5-cyano-2-pyridinyl)oxy]-4-(4-fluorophenyl)cyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid
SMILESN#Cc1ccc(O[C@@H]2C[C@H](c3ccc(F)cc3)C[C@H]2N(C(=O)O)[C@@H]2CCCNC2)nc1
InChIInChI=1S/C23H25FN4O3/c24-18-6-4-16(5-7-18)17-10-20(28(23(29)30)19-2-1-9-26-14-19)21(11-17)31-22-8-3-15(12-25)13-27-22/h3-8,13,17,19-21,26H,1-2,9-11,14H2,(H,29,30)/t17-,19-,20-,21-/m1/s1
InChIKeyFUVKLZQRFHAXHE-CWJKEVGVSA-N
MW424.48 g/mol
LogP3.52
Rot. Bonds5

About [(1R,2R,4R)-2-[(5-cyano-2-pyridinyl)oxy]-4-(4-fluorophenyl)cyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid

[(1R,2R,4R)-2-[(5-cyano-2-pyridinyl)oxy]-4-(4-fluorophenyl)cyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid (PubChem CID 146240914) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is [(1R,2R,4R)-2-[(5-cyano-2-pyridinyl)oxy]-4-(4-fluorophenyl)cyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(1R,2R,4R)-2-[(5-cyano-2-pyridinyl)oxy]-4-(4-fluorophenyl)cyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid
PubChem CID146240914
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC Name[(1R,2R,4R)-2-[(5-cyano-2-pyridinyl)oxy]-4-(4-fluorophenyl)cyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid
SMILESN#Cc1ccc(O[C@@H]2C[C@H](c3ccc(F)cc3)C[C@H]2N(C(=O)O)[C@@H]2CCCNC2)nc1
InChIInChI=1S/C23H25FN4O3/c24-18-6-4-16(5-7-18)17-10-20(28(23(29)30)19-2-1-9-26-14-19)21(11-17)31-22-8-3-15(12-25)13-27-22/h3-8,13,17,19-21,26H,1-2,9-11,14H2,(H,29,30)/t17-,19-,20-,21-/m1/s1
InChIKeyFUVKLZQRFHAXHE-CWJKEVGVSA-N
XLogP3.52
TPSA98.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(1R,2R,4R)-2-[(5-cyano-2-pyridinyl)oxy]-4-(4-fluorophenyl)cyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid with MolForge

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Launch Full Analysis

Related Compounds

Tert-butyl 4-[2-[[3-cyano-4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-pyridinyl]oxy]ethyl]piperazine-1-carboxylate
CID 154644681
US10150728, Example I-319
CID 122496998
US11274091, Example 26
CID 146240924
US11274091, Example 27
CID 146923992
4-[[5-(4-Fluorophenyl)-2-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 22646739
Tert-butyl 4-[2-(4-cyano-3-fluorophenoxymethyl)pyridin-5-yl]piperidine-1-carboxylate
CID 44820148
propan-2-yl 4-[[5-[4-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]-3-fluorophenyl]-2-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 46909823
propan-2-yl 4-[1-[[5-[4-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]-3-fluorophenyl]-2-pyridinyl]oxy]ethyl]piperidine-1-carboxylate
CID 46909994
propan-2-yl 4-[[5-[4-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]-3-fluorophenyl]-2-pyridinyl]oxy]piperidine-1-carboxylate
CID 46909996
N-(2-cyclopentylethyl)-2-[4-[4-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]acetamide
CID 59529151
2-[4-[4-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-(oxolan-2-ylmethyl)acetamide
CID 59529193
4-[2-[[6-[(3R,4R)-4-amino-3-(2,5-difluorophenyl)pyrrolidin-2-yl]-3-pyridinyl]oxy]ethyl]piperidine-1-carboxylic acid
CID 66693919

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,4R)-2-[(5-cyano-2-pyridinyl)oxy]-4-(4-fluorophenyl)cyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid?
The IUPAC name of [(1R,2R,4R)-2-[(5-cyano-2-pyridinyl)oxy]-4-(4-fluorophenyl)cyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid (CID 146240914) is [(1R,2R,4R)-2-[(5-cyano-2-pyridinyl)oxy]-4-(4-fluorophenyl)cyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid.
What is the SMILES notation for [(1R,2R,4R)-2-[(5-cyano-2-pyridinyl)oxy]-4-(4-fluorophenyl)cyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid?
The canonical SMILES for [(1R,2R,4R)-2-[(5-cyano-2-pyridinyl)oxy]-4-(4-fluorophenyl)cyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid is N#Cc1ccc(O[C@@H]2C[C@H](c3ccc(F)cc3)C[C@H]2N(C(=O)O)[C@@H]2CCCNC2)nc1.
What is the InChIKey of [(1R,2R,4R)-2-[(5-cyano-2-pyridinyl)oxy]-4-(4-fluorophenyl)cyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid?
The InChIKey is FUVKLZQRFHAXHE-CWJKEVGVSA-N. The full InChI is InChI=1S/C23H25FN4O3/c24-18-6-4-16(5-7-18)17-10-20(28(23(29)30)19-2-1-9-26-14-19)21(11-17)31-22-8-3-15(12-25)13-27-22/h3-8,13,17,19-21,26H,1-2,9-11,14H2,(H,29,30)/t17-,19-,20-,21-/m1/s1.
What are the key properties of [(1R,2R,4R)-2-[(5-cyano-2-pyridinyl)oxy]-4-(4-fluorophenyl)cyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid?
[(1R,2R,4R)-2-[(5-cyano-2-pyridinyl)oxy]-4-(4-fluorophenyl)cyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid has a molecular weight of 424.48 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,4R)-2-[(5-cyano-2-pyridinyl)oxy]-4-(4-fluorophenyl)cyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid is sourced from PubChem (CID 146240914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).