5-[3-chloro-5-(difluoromethoxy)-1,2-dihydropyridin-2-yl]-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine

C16H11ClF2N6O — CID 178156510

IUPAC5-[3-chloro-5-(difluoromethoxy)-1,2-dihydropyridin-2-yl]-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)OC1=CNC(c2cc(-c3ccncc3)n3ncnc3n2)C(Cl)=C1
InChIInChI=1S/C16H11ClF2N6O/c17-11-5-10(26-15(18)19)7-21-14(11)12-6-13(9-1-3-20-4-2-9)25-16(24-12)22-8-23-25/h1-8,14-15,21H
InChIKeyPNANZWYZUNWCON-UHFFFAOYSA-N
MW376.75 g/mol
LogP3.03
Rot. Bonds4

About 5-[3-chloro-5-(difluoromethoxy)-1,2-dihydropyridin-2-yl]-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine

5-[3-chloro-5-(difluoromethoxy)-1,2-dihydropyridin-2-yl]-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 178156510) has the molecular formula C16H11ClF2N6O and a molecular weight of 376.75 g/mol. Its IUPAC name is 5-[3-chloro-5-(difluoromethoxy)-1,2-dihydropyridin-2-yl]-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[3-chloro-5-(difluoromethoxy)-1,2-dihydropyridin-2-yl]-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID178156510
Molecular FormulaC16H11ClF2N6O
Molecular Weight376.75 g/mol
Exact Mass376.07
IUPAC Name5-[3-chloro-5-(difluoromethoxy)-1,2-dihydropyridin-2-yl]-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)OC1=CNC(c2cc(-c3ccncc3)n3ncnc3n2)C(Cl)=C1
InChIInChI=1S/C16H11ClF2N6O/c17-11-5-10(26-15(18)19)7-21-14(11)12-6-13(9-1-3-20-4-2-9)25-16(24-12)22-8-23-25/h1-8,14-15,21H
InChIKeyPNANZWYZUNWCON-UHFFFAOYSA-N
XLogP3.03
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.75
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-cyclohexyl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 178156597
5-(2-chloro-4-fluorophenyl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 178156469
4-[5-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-2-one
CID 178156447
7-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1299515
5-pyridin-4-yl-7-pyridin-4-yloxy-[1,2,4]triazolo[1,5-a]pyrimidine
CID 143398176
4-[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyridine-2-carbonitrile
CID 178156438
5-chloro-2-(difluoromethoxy)-3-pyridin-4-ylpyridine
CID 46317934
4-[4-chloro-3-(difluoromethoxy)phenyl]pyridine
CID 46317964
3-chloro-5-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)aniline
CID 68979283
7-(difluoromethyl)-5-[(3S)-1-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 92580343
N-[[4-(difluoromethoxy)phenyl]methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 46097425
7-(3,5-difluorophenyl)-5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 17036237

Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-5-(difluoromethoxy)-1,2-dihydropyridin-2-yl]-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[3-chloro-5-(difluoromethoxy)-1,2-dihydropyridin-2-yl]-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 178156510) is 5-[3-chloro-5-(difluoromethoxy)-1,2-dihydropyridin-2-yl]-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[3-chloro-5-(difluoromethoxy)-1,2-dihydropyridin-2-yl]-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[3-chloro-5-(difluoromethoxy)-1,2-dihydropyridin-2-yl]-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine is FC(F)OC1=CNC(c2cc(-c3ccncc3)n3ncnc3n2)C(Cl)=C1.
What is the InChIKey of 5-[3-chloro-5-(difluoromethoxy)-1,2-dihydropyridin-2-yl]-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is PNANZWYZUNWCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2N6O/c17-11-5-10(26-15(18)19)7-21-14(11)12-6-13(9-1-3-20-4-2-9)25-16(24-12)22-8-23-25/h1-8,14-15,21H.
What are the key properties of 5-[3-chloro-5-(difluoromethoxy)-1,2-dihydropyridin-2-yl]-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
5-[3-chloro-5-(difluoromethoxy)-1,2-dihydropyridin-2-yl]-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 376.75 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-5-(difluoromethoxy)-1,2-dihydropyridin-2-yl]-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 178156510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).