5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)cyclopropyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

C17H15F3N6O2 — CID 155154962

IUPAC5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)cyclopropyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESO=C(NC1CC1C(F)(F)F)c1noc2c1CN(c1ncnc3[nH]ccc13)CC2
InChIInChI=1S/C17H15F3N6O2/c18-17(19,20)10-5-11(10)24-16(27)13-9-6-26(4-2-12(9)28-25-13)15-8-1-3-21-14(8)22-7-23-15/h1,3,7,10-11H,2,4-6H2,(H,24,27)(H,21,22,23)
InChIKeyIUWIVUIQPPWDIN-UHFFFAOYSA-N
MW392.34 g/mol
LogP2.19
Rot. Bonds3

About 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)cyclopropyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)cyclopropyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 155154962) has the molecular formula C17H15F3N6O2 and a molecular weight of 392.34 g/mol. Its IUPAC name is 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)cyclopropyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)cyclopropyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
PubChem CID155154962
Molecular FormulaC17H15F3N6O2
Molecular Weight392.34 g/mol
Exact Mass392.12
IUPAC Name5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)cyclopropyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESO=C(NC1CC1C(F)(F)F)c1noc2c1CN(c1ncnc3[nH]ccc13)CC2
InChIInChI=1S/C17H15F3N6O2/c18-17(19,20)10-5-11(10)24-16(27)13-9-6-26(4-2-12(9)28-25-13)15-8-1-3-21-14(8)22-7-23-15/h1,3,7,10-11H,2,4-6H2,(H,24,27)(H,21,22,23)
InChIKeyIUWIVUIQPPWDIN-UHFFFAOYSA-N
XLogP2.19
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)cyclopropyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)cyclopropyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The IUPAC name of 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)cyclopropyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (CID 155154962) is 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)cyclopropyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)cyclopropyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The canonical SMILES for 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)cyclopropyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is O=C(NC1CC1C(F)(F)F)c1noc2c1CN(c1ncnc3[nH]ccc13)CC2.
What is the InChIKey of 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)cyclopropyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The InChIKey is IUWIVUIQPPWDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6O2/c18-17(19,20)10-5-11(10)24-16(27)13-9-6-26(4-2-12(9)28-25-13)15-8-1-3-21-14(8)22-7-23-15/h1,3,7,10-11H,2,4-6H2,(H,24,27)(H,21,22,23).
What are the key properties of 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)cyclopropyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)cyclopropyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 392.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)cyclopropyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 155154962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).