N-[4-[1-[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]formamide

C25H30F2N4O2 — CID 175869894

IUPACN-[4-[1-[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]formamide
SMILESO=CNC1CCC(C2CCN(C(=O)Cn3nc(C(F)F)cc3C3CC3)CC2)c2ccccc21
InChIInChI=1S/C25H30F2N4O2/c26-25(27)22-13-23(17-5-6-17)31(29-22)14-24(33)30-11-9-16(10-12-30)18-7-8-21(28-15-32)20-4-2-1-3-19(18)20/h1-4,13,15-18,21,25H,5-12,14H2,(H,28,32)
InChIKeyWFDJKLWXSVQEJW-UHFFFAOYSA-N
MW456.54 g/mol
LogP4.30
Rot. Bonds7

About N-[4-[1-[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]formamide

N-[4-[1-[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]formamide (PubChem CID 175869894) has the molecular formula C25H30F2N4O2 and a molecular weight of 456.54 g/mol. Its IUPAC name is N-[4-[1-[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]formamide.

Molecular Properties

Compound NameN-[4-[1-[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]formamide
PubChem CID175869894
Molecular FormulaC25H30F2N4O2
Molecular Weight456.54 g/mol
Exact Mass456.23
IUPAC NameN-[4-[1-[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]formamide
SMILESO=CNC1CCC(C2CCN(C(=O)Cn3nc(C(F)F)cc3C3CC3)CC2)c2ccccc21
InChIInChI=1S/C25H30F2N4O2/c26-25(27)22-13-23(17-5-6-17)31(29-22)14-24(33)30-11-9-16(10-12-30)18-7-8-21(28-15-32)20-4-2-1-3-19(18)20/h1-4,13,15-18,21,25H,5-12,14H2,(H,28,32)
InChIKeyWFDJKLWXSVQEJW-UHFFFAOYSA-N
XLogP4.30
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]formamide?
The IUPAC name of N-[4-[1-[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]formamide (CID 175869894) is N-[4-[1-[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]formamide.
What is the SMILES notation for N-[4-[1-[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]formamide?
The canonical SMILES for N-[4-[1-[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]formamide is O=CNC1CCC(C2CCN(C(=O)Cn3nc(C(F)F)cc3C3CC3)CC2)c2ccccc21.
What is the InChIKey of N-[4-[1-[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]formamide?
The InChIKey is WFDJKLWXSVQEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N4O2/c26-25(27)22-13-23(17-5-6-17)31(29-22)14-24(33)30-11-9-16(10-12-30)18-7-8-21(28-15-32)20-4-2-1-3-19(18)20/h1-4,13,15-18,21,25H,5-12,14H2,(H,28,32).
What are the key properties of N-[4-[1-[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]formamide?
N-[4-[1-[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]formamide has a molecular weight of 456.54 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]formamide is sourced from PubChem (CID 175869894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).