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

C17H17FN6O3 — CID 155155014

IUPACN-[(3-fluorooxetan-3-yl)methyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESO=C(NCC1(F)COC1)c1noc2c1CN(c1ncnc3[nH]ccc13)CC2
InChIInChI=1S/C17H17FN6O3/c18-17(7-26-8-17)6-20-16(25)13-11-5-24(4-2-12(11)27-23-13)15-10-1-3-19-14(10)21-9-22-15/h1,3,9H,2,4-8H2,(H,20,25)(H,19,21,22)
InChIKeyZGUAALBKHFRGSH-UHFFFAOYSA-N
MW372.36 g/mol
LogP0.98
Rot. Bonds4

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

N-[(3-fluorooxetan-3-yl)methyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 155155014) has the molecular formula C17H17FN6O3 and a molecular weight of 372.36 g/mol. Its IUPAC name is N-[(3-fluorooxetan-3-yl)methyl]-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-[(3-fluorooxetan-3-yl)methyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
PubChem CID155155014
Molecular FormulaC17H17FN6O3
Molecular Weight372.36 g/mol
Exact Mass372.13
IUPAC NameN-[(3-fluorooxetan-3-yl)methyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESO=C(NCC1(F)COC1)c1noc2c1CN(c1ncnc3[nH]ccc13)CC2
InChIInChI=1S/C17H17FN6O3/c18-17(7-26-8-17)6-20-16(25)13-11-5-24(4-2-12(11)27-23-13)15-10-1-3-19-14(10)21-9-22-15/h1,3,9H,2,4-8H2,(H,20,25)(H,19,21,22)
InChIKeyZGUAALBKHFRGSH-UHFFFAOYSA-N
XLogP0.98
TPSA109.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(3-fluorooxetan-3-yl)methyl]-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-[(3-fluorooxetan-3-yl)methyl]-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-[(3-fluorooxetan-3-yl)methyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (CID 155155014) is N-[(3-fluorooxetan-3-yl)methyl]-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-[(3-fluorooxetan-3-yl)methyl]-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-[(3-fluorooxetan-3-yl)methyl]-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(NCC1(F)COC1)c1noc2c1CN(c1ncnc3[nH]ccc13)CC2.
What is the InChIKey of N-[(3-fluorooxetan-3-yl)methyl]-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 ZGUAALBKHFRGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O3/c18-17(7-26-8-17)6-20-16(25)13-11-5-24(4-2-12(11)27-23-13)15-10-1-3-19-14(10)21-9-22-15/h1,3,9H,2,4-8H2,(H,20,25)(H,19,21,22).
What are the key properties of N-[(3-fluorooxetan-3-yl)methyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
N-[(3-fluorooxetan-3-yl)methyl]-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 372.36 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorooxetan-3-yl)methyl]-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 155155014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).