N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-(3,5-difluorophenyl)-6,8-dihydroimidazo[1,2-a]pyrazin-5-imine

C18H16F2N6 — CID 91146248

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-7-(3,5-difluorophenyl)-6,8-dihydroimidazo[1,2-a]pyrazin-5-imine
SMILESFc1cc(F)cc(N2C/C(=N\c3cc(C4CC4)[nH]n3)n3ccnc3C2)c1
InChIInChI=1S/C18H16F2N6/c19-12-5-13(20)7-14(6-12)25-9-17-21-3-4-26(17)18(10-25)22-16-8-15(23-24-16)11-1-2-11/h3-8,11H,1-2,9-10H2,(H,23,24)/b22-18+
InChIKeyYIMWOTWSAQWOKH-RELWKKBWSA-N
MW354.36 g/mol
LogP3.36
Rot. Bonds3

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-(3,5-difluorophenyl)-6,8-dihydroimidazo[1,2-a]pyrazin-5-imine

N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-(3,5-difluorophenyl)-6,8-dihydroimidazo[1,2-a]pyrazin-5-imine (PubChem CID 91146248) has the molecular formula C18H16F2N6 and a molecular weight of 354.36 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-(3,5-difluorophenyl)-6,8-dihydroimidazo[1,2-a]pyrazin-5-imine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-7-(3,5-difluorophenyl)-6,8-dihydroimidazo[1,2-a]pyrazin-5-imine
PubChem CID91146248
Molecular FormulaC18H16F2N6
Molecular Weight354.36 g/mol
Exact Mass354.14
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-7-(3,5-difluorophenyl)-6,8-dihydroimidazo[1,2-a]pyrazin-5-imine
SMILESFc1cc(F)cc(N2C/C(=N\c3cc(C4CC4)[nH]n3)n3ccnc3C2)c1
InChIInChI=1S/C18H16F2N6/c19-12-5-13(20)7-14(6-12)25-9-17-21-3-4-26(17)18(10-25)22-16-8-15(23-24-16)11-1-2-11/h3-8,11H,1-2,9-10H2,(H,23,24)/b22-18+
InChIKeyYIMWOTWSAQWOKH-RELWKKBWSA-N
XLogP3.36
TPSA62.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-(3,5-difluorophenyl)-6,8-dihydroimidazo[1,2-a]pyrazin-5-imine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-(3,5-difluorophenyl)-6,8-dihydroimidazo[1,2-a]pyrazin-5-imine (CID 91146248) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-(3,5-difluorophenyl)-6,8-dihydroimidazo[1,2-a]pyrazin-5-imine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-(3,5-difluorophenyl)-6,8-dihydroimidazo[1,2-a]pyrazin-5-imine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-(3,5-difluorophenyl)-6,8-dihydroimidazo[1,2-a]pyrazin-5-imine is Fc1cc(F)cc(N2C/C(=N\c3cc(C4CC4)[nH]n3)n3ccnc3C2)c1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-(3,5-difluorophenyl)-6,8-dihydroimidazo[1,2-a]pyrazin-5-imine?
The InChIKey is YIMWOTWSAQWOKH-RELWKKBWSA-N. The full InChI is InChI=1S/C18H16F2N6/c19-12-5-13(20)7-14(6-12)25-9-17-21-3-4-26(17)18(10-25)22-16-8-15(23-24-16)11-1-2-11/h3-8,11H,1-2,9-10H2,(H,23,24)/b22-18+.
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-(3,5-difluorophenyl)-6,8-dihydroimidazo[1,2-a]pyrazin-5-imine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-(3,5-difluorophenyl)-6,8-dihydroimidazo[1,2-a]pyrazin-5-imine has a molecular weight of 354.36 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-(3,5-difluorophenyl)-6,8-dihydroimidazo[1,2-a]pyrazin-5-imine is sourced from PubChem (CID 91146248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).