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

C16H15F3N6O3 — CID 155155008

IUPAC5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1noc2c1CN(c1ncnc3[nH]ccc13)CC2
InChIInChI=1S/C16H15F3N6O3/c17-16(18,19)11(26)5-21-15(27)12-9-6-25(4-2-10(9)28-24-12)14-8-1-3-20-13(8)22-7-23-14/h1,3,7,11,26H,2,4-6H2,(H,21,27)(H,20,22,23)
InChIKeyYSNMSCYYTLHBDQ-UHFFFAOYSA-N
MW396.33 g/mol
LogP1.16
Rot. Bonds4

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

5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 155155008) has the molecular formula C16H15F3N6O3 and a molecular weight of 396.33 g/mol. Its IUPAC name is 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)-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-(3,3,3-trifluoro-2-hydroxypropyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
PubChem CID155155008
Molecular FormulaC16H15F3N6O3
Molecular Weight396.33 g/mol
Exact Mass396.12
IUPAC Name5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1noc2c1CN(c1ncnc3[nH]ccc13)CC2
InChIInChI=1S/C16H15F3N6O3/c17-16(18,19)11(26)5-21-15(27)12-9-6-25(4-2-10(9)28-24-12)14-8-1-3-20-13(8)22-7-23-14/h1,3,7,11,26H,2,4-6H2,(H,21,27)(H,20,22,23)
InChIKeyYSNMSCYYTLHBDQ-UHFFFAOYSA-N
XLogP1.16
TPSA120.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.33
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)-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-(3,3,3-trifluoro-2-hydroxypropyl)-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-(3,3,3-trifluoro-2-hydroxypropyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (CID 155155008) is 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)-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-(3,3,3-trifluoro-2-hydroxypropyl)-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-(3,3,3-trifluoro-2-hydroxypropyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is O=C(NCC(O)C(F)(F)F)c1noc2c1CN(c1ncnc3[nH]ccc13)CC2.
What is the InChIKey of 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The InChIKey is YSNMSCYYTLHBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6O3/c17-16(18,19)11(26)5-21-15(27)12-9-6-25(4-2-10(9)28-24-12)14-8-1-3-20-13(8)22-7-23-14/h1,3,7,11,26H,2,4-6H2,(H,21,27)(H,20,22,23).
What are the key properties of 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 396.33 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 155155008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).