1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-amine

C17H19F2N7 — CID 139343987

IUPAC1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-amine
SMILESNC1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CC1
InChIInChI=1S/C17H19F2N7/c18-16(19)12-10-26-13(8-23-15(26)9-22-12)17-21-5-3-14(24-17)25-6-1-2-11(20)4-7-25/h3,5,8-11,16H,1-2,4,6-7,20H2
InChIKeySKZIXPFGJZXSNY-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.44
Rot. Bonds3

About 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-amine

1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-amine (PubChem CID 139343987) has the molecular formula C17H19F2N7 and a molecular weight of 359.38 g/mol. Its IUPAC name is 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-amine.

Molecular Properties

Compound Name1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-amine
PubChem CID139343987
Molecular FormulaC17H19F2N7
Molecular Weight359.38 g/mol
Exact Mass359.17
IUPAC Name1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-amine
SMILESNC1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CC1
InChIInChI=1S/C17H19F2N7/c18-16(19)12-10-26-13(8-23-15(26)9-22-12)17-21-5-3-14(24-17)25-6-1-2-11(20)4-7-25/h3,5,8-11,16H,1-2,4,6-7,20H2
InChIKeySKZIXPFGJZXSNY-UHFFFAOYSA-N
XLogP2.44
TPSA85.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-amine?
The IUPAC name of 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-amine (CID 139343987) is 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-amine.
What is the SMILES notation for 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-amine?
The canonical SMILES for 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-amine is NC1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CC1.
What is the InChIKey of 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-amine?
The InChIKey is SKZIXPFGJZXSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N7/c18-16(19)12-10-26-13(8-23-15(26)9-22-12)17-21-5-3-14(24-17)25-6-1-2-11(20)4-7-25/h3,5,8-11,16H,1-2,4,6-7,20H2.
What are the key properties of 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-amine?
1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-amine has a molecular weight of 359.38 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-amine is sourced from PubChem (CID 139343987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).