[4-(3-chloro-2-pyridinyl)-4-fluoropiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-fluoro-4-pyrimidin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-hydroxy-4-pyrimidin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone

C70H66ClF3N18O6S4 — CID 162135160

IUPAC[4-(3-chloro-2-pyridinyl)-4-fluoropiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-fluoro-4-pyrimidin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-hydroxy-4-pyrimidin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
SMILESO=C(c1csc(-c2cn[nH]c2)c1)N1CCC(F)(c2ncccc2Cl)CC1.O=C(c1csc(-c2cn[nH]c2)c1)N1CCC(F)(c2ncccn2)CC1.O=C(c1csc(-c2cn[nH]c2)c1)N1CCC(O)(c2ncccc2F)CC1.O=C(c1csc(-c2cn[nH]c2)c1)N1CCC(O)(c2ncccn2)CC1
InChIInChI=1S/C18H16ClFN4OS.C18H17FN4O2S.C17H16FN5OS.C17H17N5O2S/c19-14-2-1-5-21-16(14)18(20)3-6-24(7-4-18)17(25)12-8-15(26-11-12)13-9-22-23-10-13;19-14-2-1-5-20-16(14)18(25)3-6-23(7-4-18)17(24)12-8-15(26-11-12)13-9-21-22-10-13;18-17(16-19-4-1-5-20-16)2-6-23(7-3-17)15(24)12-8-14(25-11-12)13-9-21-22-10-13;23-15(12-8-14(25-11-12)13-9-20-21-10-13)22-6-2-17(24,3-7-22)16-18-4-1-5-19-16/h1-2,5,8-11H,3-4,6-7H2,(H,22,23);1-2,5,8-11,25H,3-4,6-7H2,(H,21,22);1,4-5,8-11H,2-3,6-7H2,(H,21,22);1,4-5,8-11,24H,2-3,6-7H2,(H,20,21)
InChIKeyZJEICJOSBPYCGP-UHFFFAOYSA-N
MW1476.13 g/mol
LogP12.16
Rot. Bonds12

About [4-(3-chloro-2-pyridinyl)-4-fluoropiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-fluoro-4-pyrimidin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-hydroxy-4-pyrimidin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone

[4-(3-chloro-2-pyridinyl)-4-fluoropiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-fluoro-4-pyrimidin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-hydroxy-4-pyrimidin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone (PubChem CID 162135160) has the molecular formula C70H66ClF3N18O6S4 and a molecular weight of 1476.13 g/mol. Its IUPAC name is [4-(3-chloro-2-pyridinyl)-4-fluoropiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-fluoro-4-pyrimidin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-hydroxy-4-pyrimidin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone.

Molecular Properties

Compound Name[4-(3-chloro-2-pyridinyl)-4-fluoropiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-fluoro-4-pyrimidin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-hydroxy-4-pyrimidin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
PubChem CID162135160
Molecular FormulaC70H66ClF3N18O6S4
Molecular Weight1476.13 g/mol
Exact Mass1474.39
IUPAC Name[4-(3-chloro-2-pyridinyl)-4-fluoropiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-fluoro-4-pyrimidin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-hydroxy-4-pyrimidin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
SMILESO=C(c1csc(-c2cn[nH]c2)c1)N1CCC(F)(c2ncccc2Cl)CC1.O=C(c1csc(-c2cn[nH]c2)c1)N1CCC(F)(c2ncccn2)CC1.O=C(c1csc(-c2cn[nH]c2)c1)N1CCC(O)(c2ncccc2F)CC1.O=C(c1csc(-c2cn[nH]c2)c1)N1CCC(O)(c2ncccn2)CC1
InChIInChI=1S/C18H16ClFN4OS.C18H17FN4O2S.C17H16FN5OS.C17H17N5O2S/c19-14-2-1-5-21-16(14)18(20)3-6-24(7-4-18)17(25)12-8-15(26-11-12)13-9-22-23-10-13;19-14-2-1-5-20-16(14)18(25)3-6-23(7-4-18)17(24)12-8-15(26-11-12)13-9-21-22-10-13;18-17(16-19-4-1-5-20-16)2-6-23(7-3-17)15(24)12-8-14(25-11-12)13-9-21-22-10-13;23-15(12-8-14(25-11-12)13-9-20-21-10-13)22-6-2-17(24,3-7-22)16-18-4-1-5-19-16/h1-2,5,8-11H,3-4,6-7H2,(H,22,23);1-2,5,8-11,25H,3-4,6-7H2,(H,21,22);1,4-5,8-11H,2-3,6-7H2,(H,21,22);1,4-5,8-11,24H,2-3,6-7H2,(H,20,21)
InChIKeyZJEICJOSBPYCGP-UHFFFAOYSA-N
XLogP12.16
TPSA313.76 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001476.13
LogP ≤ 512.16
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze [4-(3-chloro-2-pyridinyl)-4-fluoropiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-fluoro-4-pyrimidin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-hydroxy-4-pyrimidin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-2-pyridinyl)-4-fluoropiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-fluoro-4-pyrimidin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-hydroxy-4-pyrimidin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone?
The IUPAC name of [4-(3-chloro-2-pyridinyl)-4-fluoropiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-fluoro-4-pyrimidin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-hydroxy-4-pyrimidin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone (CID 162135160) is [4-(3-chloro-2-pyridinyl)-4-fluoropiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-fluoro-4-pyrimidin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-hydroxy-4-pyrimidin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone.
What is the SMILES notation for [4-(3-chloro-2-pyridinyl)-4-fluoropiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-fluoro-4-pyrimidin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-hydroxy-4-pyrimidin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone?
The canonical SMILES for [4-(3-chloro-2-pyridinyl)-4-fluoropiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-fluoro-4-pyrimidin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-hydroxy-4-pyrimidin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone is O=C(c1csc(-c2cn[nH]c2)c1)N1CCC(F)(c2ncccc2Cl)CC1.O=C(c1csc(-c2cn[nH]c2)c1)N1CCC(F)(c2ncccn2)CC1.O=C(c1csc(-c2cn[nH]c2)c1)N1CCC(O)(c2ncccc2F)CC1.O=C(c1csc(-c2cn[nH]c2)c1)N1CCC(O)(c2ncccn2)CC1.
What is the InChIKey of [4-(3-chloro-2-pyridinyl)-4-fluoropiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-fluoro-4-pyrimidin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-hydroxy-4-pyrimidin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone?
The InChIKey is ZJEICJOSBPYCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4OS.C18H17FN4O2S.C17H16FN5OS.C17H17N5O2S/c19-14-2-1-5-21-16(14)18(20)3-6-24(7-4-18)17(25)12-8-15(26-11-12)13-9-22-23-10-13;19-14-2-1-5-20-16(14)18(25)3-6-23(7-4-18)17(24)12-8-15(26-11-12)13-9-21-22-10-13;18-17(16-19-4-1-5-20-16)2-6-23(7-3-17)15(24)12-8-14(25-11-12)13-9-21-22-10-13;23-15(12-8-14(25-11-12)13-9-20-21-10-13)22-6-2-17(24,3-7-22)16-18-4-1-5-19-16/h1-2,5,8-11H,3-4,6-7H2,(H,22,23);1-2,5,8-11,25H,3-4,6-7H2,(H,21,22);1,4-5,8-11H,2-3,6-7H2,(H,21,22);1,4-5,8-11,24H,2-3,6-7H2,(H,20,21).
What are the key properties of [4-(3-chloro-2-pyridinyl)-4-fluoropiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-fluoro-4-pyrimidin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-hydroxy-4-pyrimidin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone?
[4-(3-chloro-2-pyridinyl)-4-fluoropiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-fluoro-4-pyrimidin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-hydroxy-4-pyrimidin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone has a molecular weight of 1476.13 g/mol, XLogP of 12.16, 12 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-2-pyridinyl)-4-fluoropiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-fluoro-4-pyrimidin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-hydroxy-4-pyrimidin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone is sourced from PubChem (CID 162135160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).