3-[1-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2-carboxamide

C28H27F6N5O2 — CID 151027295

IUPAC3-[1-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2-carboxamide
SMILESO=C(NC1CCCc2ccccc21)c1ncccc1C1CCN(C(=O)Cn2nc(C(F)(F)F)cc2C(F)(F)F)CC1
InChIInChI=1S/C28H27F6N5O2/c29-27(30,31)22-15-23(28(32,33)34)39(37-22)16-24(40)38-13-10-18(11-14-38)20-8-4-12-35-25(20)26(41)36-21-9-3-6-17-5-1-2-7-19(17)21/h1-2,4-5,7-8,12,15,18,21H,3,6,9-11,13-14,16H2,(H,36,41)
InChIKeyLZHVTOLNZFZDQI-UHFFFAOYSA-N
MW579.55 g/mol
LogP5.53
Rot. Bonds5

About 3-[1-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2-carboxamide

3-[1-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2-carboxamide (PubChem CID 151027295) has the molecular formula C28H27F6N5O2 and a molecular weight of 579.55 g/mol. Its IUPAC name is 3-[1-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[1-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2-carboxamide
PubChem CID151027295
Molecular FormulaC28H27F6N5O2
Molecular Weight579.55 g/mol
Exact Mass579.21
IUPAC Name3-[1-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2-carboxamide
SMILESO=C(NC1CCCc2ccccc21)c1ncccc1C1CCN(C(=O)Cn2nc(C(F)(F)F)cc2C(F)(F)F)CC1
InChIInChI=1S/C28H27F6N5O2/c29-27(30,31)22-15-23(28(32,33)34)39(37-22)16-24(40)38-13-10-18(11-14-38)20-8-4-12-35-25(20)26(41)36-21-9-3-6-17-5-1-2-7-19(17)21/h1-2,4-5,7-8,12,15,18,21H,3,6,9-11,13-14,16H2,(H,36,41)
InChIKeyLZHVTOLNZFZDQI-UHFFFAOYSA-N
XLogP5.53
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.55
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2-carboxamide
CID 122604507
1-[1-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide
CID 150141528
5-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3-carboxamide
CID 71243890
3-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-1,3-thiazole-4-carboxamide
CID 66622073
(2R)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51391479
4-[1-[2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2-carboxamide
CID 151382607
2-[1-[2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide
CID 69118344
2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid;1,2,3,4-tetrahydronaphthalen-1-amine
CID 171923658
N-methyl-5-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-thiazole-3-carboxamide
CID 142709166
2-[1-[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide
CID 135363801
2-amino-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide
CID 62072951
N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide
CID 54412767

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2-carboxamide?
The IUPAC name of 3-[1-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2-carboxamide (CID 151027295) is 3-[1-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-[1-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-[1-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2-carboxamide is O=C(NC1CCCc2ccccc21)c1ncccc1C1CCN(C(=O)Cn2nc(C(F)(F)F)cc2C(F)(F)F)CC1.
What is the InChIKey of 3-[1-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2-carboxamide?
The InChIKey is LZHVTOLNZFZDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F6N5O2/c29-27(30,31)22-15-23(28(32,33)34)39(37-22)16-24(40)38-13-10-18(11-14-38)20-8-4-12-35-25(20)26(41)36-21-9-3-6-17-5-1-2-7-19(17)21/h1-2,4-5,7-8,12,15,18,21H,3,6,9-11,13-14,16H2,(H,36,41).
What are the key properties of 3-[1-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2-carboxamide?
3-[1-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2-carboxamide has a molecular weight of 579.55 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 151027295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).