6-(2-cyclopropylimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine

C21H17F2N5O — CID 118094943

IUPAC6-(2-cyclopropylimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine
SMILESFC(F)Oc1ccc(Nc2cncc(-c3c(C4CC4)nc4ccccn34)n2)cc1
InChIInChI=1S/C21H17F2N5O/c22-21(23)29-15-8-6-14(7-9-15)25-17-12-24-11-16(26-17)20-19(13-4-5-13)27-18-3-1-2-10-28(18)20/h1-3,6-13,21H,4-5H2,(H,25,26)
InChIKeyYLKXRSCWEBYBDB-UHFFFAOYSA-N
MW393.40 g/mol
LogP5.01
Rot. Bonds6

About 6-(2-cyclopropylimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine

6-(2-cyclopropylimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine (PubChem CID 118094943) has the molecular formula C21H17F2N5O and a molecular weight of 393.40 g/mol. Its IUPAC name is 6-(2-cyclopropylimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(2-cyclopropylimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine
PubChem CID118094943
Molecular FormulaC21H17F2N5O
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC Name6-(2-cyclopropylimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine
SMILESFC(F)Oc1ccc(Nc2cncc(-c3c(C4CC4)nc4ccccn34)n2)cc1
InChIInChI=1S/C21H17F2N5O/c22-21(23)29-15-8-6-14(7-9-15)25-17-12-24-11-16(26-17)20-19(13-4-5-13)27-18-3-1-2-10-28(18)20/h1-3,6-13,21H,4-5H2,(H,25,26)
InChIKeyYLKXRSCWEBYBDB-UHFFFAOYSA-N
XLogP5.01
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.40
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropylimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine?
The IUPAC name of 6-(2-cyclopropylimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine (CID 118094943) is 6-(2-cyclopropylimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine.
What is the SMILES notation for 6-(2-cyclopropylimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine?
The canonical SMILES for 6-(2-cyclopropylimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine is FC(F)Oc1ccc(Nc2cncc(-c3c(C4CC4)nc4ccccn34)n2)cc1.
What is the InChIKey of 6-(2-cyclopropylimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine?
The InChIKey is YLKXRSCWEBYBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O/c22-21(23)29-15-8-6-14(7-9-15)25-17-12-24-11-16(26-17)20-19(13-4-5-13)27-18-3-1-2-10-28(18)20/h1-3,6-13,21H,4-5H2,(H,25,26).
What are the key properties of 6-(2-cyclopropylimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine?
6-(2-cyclopropylimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine has a molecular weight of 393.40 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopropylimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine is sourced from PubChem (CID 118094943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).