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

C18H19FN6O3 — CID 155155056

IUPACN-[2-(3-fluorooxetan-3-yl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESO=C(NCCC1(F)COC1)c1noc2c1CN(c1ncnc3[nH]ccc13)CC2
InChIInChI=1S/C18H19FN6O3/c19-18(8-27-9-18)3-5-21-17(26)14-12-7-25(6-2-13(12)28-24-14)16-11-1-4-20-15(11)22-10-23-16/h1,4,10H,2-3,5-9H2,(H,21,26)(H,20,22,23)
InChIKeySFYVSJFYIFAGKP-UHFFFAOYSA-N
MW386.39 g/mol
LogP1.37
Rot. Bonds5

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

N-[2-(3-fluorooxetan-3-yl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 155155056) has the molecular formula C18H19FN6O3 and a molecular weight of 386.39 g/mol. Its IUPAC name is N-[2-(3-fluorooxetan-3-yl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorooxetan-3-yl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
PubChem CID155155056
Molecular FormulaC18H19FN6O3
Molecular Weight386.39 g/mol
Exact Mass386.15
IUPAC NameN-[2-(3-fluorooxetan-3-yl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESO=C(NCCC1(F)COC1)c1noc2c1CN(c1ncnc3[nH]ccc13)CC2
InChIInChI=1S/C18H19FN6O3/c19-18(8-27-9-18)3-5-21-17(26)14-12-7-25(6-2-13(12)28-24-14)16-11-1-4-20-15(11)22-10-23-16/h1,4,10H,2-3,5-9H2,(H,21,26)(H,20,22,23)
InChIKeySFYVSJFYIFAGKP-UHFFFAOYSA-N
XLogP1.37
TPSA109.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-(3-fluorooxetan-3-yl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-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 N-[2-(3-fluorooxetan-3-yl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The IUPAC name of N-[2-(3-fluorooxetan-3-yl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (CID 155155056) is N-[2-(3-fluorooxetan-3-yl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-fluorooxetan-3-yl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-fluorooxetan-3-yl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is O=C(NCCC1(F)COC1)c1noc2c1CN(c1ncnc3[nH]ccc13)CC2.
What is the InChIKey of N-[2-(3-fluorooxetan-3-yl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The InChIKey is SFYVSJFYIFAGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O3/c19-18(8-27-9-18)3-5-21-17(26)14-12-7-25(6-2-13(12)28-24-14)16-11-1-4-20-15(11)22-10-23-16/h1,4,10H,2-3,5-9H2,(H,21,26)(H,20,22,23).
What are the key properties of N-[2-(3-fluorooxetan-3-yl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
N-[2-(3-fluorooxetan-3-yl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 386.39 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorooxetan-3-yl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 155155056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).