N-[4-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cycloheptyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

C19H21F2N7O2 — CID 155441471

IUPACN-[4-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cycloheptyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESO=C(NC1CCCC(c2cc(C(F)F)nc3ncnn23)CC1)c1cc2n(n1)CCO2
InChIInChI=1S/C19H21F2N7O2/c20-17(21)13-8-15(28-19(25-13)22-10-23-28)11-2-1-3-12(5-4-11)24-18(29)14-9-16-27(26-14)6-7-30-16/h8-12,17H,1-7H2,(H,24,29)
InChIKeyWSQUETDSQRDYIH-UHFFFAOYSA-N
MW417.42 g/mol
LogP2.50
Rot. Bonds4

About N-[4-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cycloheptyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

N-[4-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cycloheptyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (PubChem CID 155441471) has the molecular formula C19H21F2N7O2 and a molecular weight of 417.42 g/mol. Its IUPAC name is N-[4-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cycloheptyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cycloheptyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
PubChem CID155441471
Molecular FormulaC19H21F2N7O2
Molecular Weight417.42 g/mol
Exact Mass417.17
IUPAC NameN-[4-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cycloheptyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESO=C(NC1CCCC(c2cc(C(F)F)nc3ncnn23)CC1)c1cc2n(n1)CCO2
InChIInChI=1S/C19H21F2N7O2/c20-17(21)13-8-15(28-19(25-13)22-10-23-28)11-2-1-3-12(5-4-11)24-18(29)14-9-16-27(26-14)6-7-30-16/h8-12,17H,1-7H2,(H,24,29)
InChIKeyWSQUETDSQRDYIH-UHFFFAOYSA-N
XLogP2.50
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cycloheptyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide with MolForge

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Related Compounds

[(3S,4R)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-methylpiperidin-1-yl]-(2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)methanone
CID 139481971
[(1S,2S,5S)-2-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)methanone
CID 139482857
N-[(1S,2Z)-2-[[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]methylidene]cyclopropyl]-N-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 173824261
5-(Difluoromethyl)-7-(4-methyldecan-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine;2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbaldehyde;ethane
CID 142340969
[(1S,2S,5S)-2-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)methanone;sulfane
CID 157430042

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cycloheptyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The IUPAC name of N-[4-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cycloheptyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (CID 155441471) is N-[4-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cycloheptyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.
What is the SMILES notation for N-[4-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cycloheptyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The canonical SMILES for N-[4-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cycloheptyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is O=C(NC1CCCC(c2cc(C(F)F)nc3ncnn23)CC1)c1cc2n(n1)CCO2.
What is the InChIKey of N-[4-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cycloheptyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The InChIKey is WSQUETDSQRDYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N7O2/c20-17(21)13-8-15(28-19(25-13)22-10-23-28)11-2-1-3-12(5-4-11)24-18(29)14-9-16-27(26-14)6-7-30-16/h8-12,17H,1-7H2,(H,24,29).
What are the key properties of N-[4-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cycloheptyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
N-[4-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cycloheptyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 417.42 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cycloheptyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 155441471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).