[(2R,5R)-5-[[4-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[4-(triazol-2-yl)thiophen-3-yl]methanone

C19H19F2N5O3S — CID 78324973

IUPAC[(2R,5R)-5-[[4-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[4-(triazol-2-yl)thiophen-3-yl]methanone
SMILESC[C@@H]1CC[C@@H](Oc2cc(OC(F)F)ccn2)CN1C(=O)c1cscc1-n1nccn1
InChIInChI=1S/C19H19F2N5O3S/c1-12-2-3-14(28-17-8-13(4-5-22-17)29-19(20)21)9-25(12)18(27)15-10-30-11-16(15)26-23-6-7-24-26/h4-8,10-12,14,19H,2-3,9H2,1H3/t12-,14-/m1/s1
InChIKeyCLCUVQHMSAJFFH-TZMCWYRMSA-N
MW435.46 g/mol
LogP3.40
Rot. Bonds6

About [(2R,5R)-5-[[4-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[4-(triazol-2-yl)thiophen-3-yl]methanone

[(2R,5R)-5-[[4-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[4-(triazol-2-yl)thiophen-3-yl]methanone (PubChem CID 78324973) has the molecular formula C19H19F2N5O3S and a molecular weight of 435.46 g/mol. Its IUPAC name is [(2R,5R)-5-[[4-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[4-(triazol-2-yl)thiophen-3-yl]methanone.

Molecular Properties

Compound Name[(2R,5R)-5-[[4-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[4-(triazol-2-yl)thiophen-3-yl]methanone
PubChem CID78324973
Molecular FormulaC19H19F2N5O3S
Molecular Weight435.46 g/mol
Exact Mass435.12
IUPAC Name[(2R,5R)-5-[[4-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[4-(triazol-2-yl)thiophen-3-yl]methanone
SMILESC[C@@H]1CC[C@@H](Oc2cc(OC(F)F)ccn2)CN1C(=O)c1cscc1-n1nccn1
InChIInChI=1S/C19H19F2N5O3S/c1-12-2-3-14(28-17-8-13(4-5-22-17)29-19(20)21)9-25(12)18(27)15-10-30-11-16(15)26-23-6-7-24-26/h4-8,10-12,14,19H,2-3,9H2,1H3/t12-,14-/m1/s1
InChIKeyCLCUVQHMSAJFFH-TZMCWYRMSA-N
XLogP3.40
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [(2R,5R)-5-[[4-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[4-(triazol-2-yl)thiophen-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-[[4-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[4-(triazol-2-yl)thiophen-3-yl]methanone?
The IUPAC name of [(2R,5R)-5-[[4-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[4-(triazol-2-yl)thiophen-3-yl]methanone (CID 78324973) is [(2R,5R)-5-[[4-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[4-(triazol-2-yl)thiophen-3-yl]methanone.
What is the SMILES notation for [(2R,5R)-5-[[4-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[4-(triazol-2-yl)thiophen-3-yl]methanone?
The canonical SMILES for [(2R,5R)-5-[[4-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[4-(triazol-2-yl)thiophen-3-yl]methanone is C[C@@H]1CC[C@@H](Oc2cc(OC(F)F)ccn2)CN1C(=O)c1cscc1-n1nccn1.
What is the InChIKey of [(2R,5R)-5-[[4-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[4-(triazol-2-yl)thiophen-3-yl]methanone?
The InChIKey is CLCUVQHMSAJFFH-TZMCWYRMSA-N. The full InChI is InChI=1S/C19H19F2N5O3S/c1-12-2-3-14(28-17-8-13(4-5-22-17)29-19(20)21)9-25(12)18(27)15-10-30-11-16(15)26-23-6-7-24-26/h4-8,10-12,14,19H,2-3,9H2,1H3/t12-,14-/m1/s1.
What are the key properties of [(2R,5R)-5-[[4-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[4-(triazol-2-yl)thiophen-3-yl]methanone?
[(2R,5R)-5-[[4-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[4-(triazol-2-yl)thiophen-3-yl]methanone has a molecular weight of 435.46 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-5-[[4-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[4-(triazol-2-yl)thiophen-3-yl]methanone is sourced from PubChem (CID 78324973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).