7-(5-fluoropyrimidin-2-yl)-3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine

C15H16FN7 — CID 97467090

IUPAC7-(5-fluoropyrimidin-2-yl)-3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine
SMILESFc1cnc(N2CCc3ncc(Cn4cccn4)n3CC2)nc1
InChIInChI=1S/C15H16FN7/c16-12-8-18-15(19-9-12)21-5-2-14-17-10-13(23(14)7-6-21)11-22-4-1-3-20-22/h1,3-4,8-10H,2,5-7,11H2
InChIKeyITOUSKSGOJHUKP-UHFFFAOYSA-N
MW313.34 g/mol
LogP1.12
Rot. Bonds3

About 7-(5-fluoropyrimidin-2-yl)-3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine

7-(5-fluoropyrimidin-2-yl)-3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine (PubChem CID 97467090) has the molecular formula C15H16FN7 and a molecular weight of 313.34 g/mol. Its IUPAC name is 7-(5-fluoropyrimidin-2-yl)-3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine.

Molecular Properties

Compound Name7-(5-fluoropyrimidin-2-yl)-3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine
PubChem CID97467090
Molecular FormulaC15H16FN7
Molecular Weight313.34 g/mol
Exact Mass313.15
IUPAC Name7-(5-fluoropyrimidin-2-yl)-3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine
SMILESFc1cnc(N2CCc3ncc(Cn4cccn4)n3CC2)nc1
InChIInChI=1S/C15H16FN7/c16-12-8-18-15(19-9-12)21-5-2-14-17-10-13(23(14)7-6-21)11-22-4-1-3-20-22/h1,3-4,8-10H,2,5-7,11H2
InChIKeyITOUSKSGOJHUKP-UHFFFAOYSA-N
XLogP1.12
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoropyrimidin-2-yl)-3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine?
The IUPAC name of 7-(5-fluoropyrimidin-2-yl)-3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine (CID 97467090) is 7-(5-fluoropyrimidin-2-yl)-3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine.
What is the SMILES notation for 7-(5-fluoropyrimidin-2-yl)-3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine?
The canonical SMILES for 7-(5-fluoropyrimidin-2-yl)-3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine is Fc1cnc(N2CCc3ncc(Cn4cccn4)n3CC2)nc1.
What is the InChIKey of 7-(5-fluoropyrimidin-2-yl)-3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine?
The InChIKey is ITOUSKSGOJHUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN7/c16-12-8-18-15(19-9-12)21-5-2-14-17-10-13(23(14)7-6-21)11-22-4-1-3-20-22/h1,3-4,8-10H,2,5-7,11H2.
What are the key properties of 7-(5-fluoropyrimidin-2-yl)-3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine?
7-(5-fluoropyrimidin-2-yl)-3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine has a molecular weight of 313.34 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluoropyrimidin-2-yl)-3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine is sourced from PubChem (CID 97467090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).