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

C17H19F2N7 — CID 139357730

IUPAC[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanamine
SMILESNCC1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1
InChIInChI=1S/C17H19F2N7/c18-16(19)12-10-26-13(7-23-15(26)8-22-12)17-21-4-3-14(24-17)25-5-1-2-11(6-20)9-25/h3-4,7-8,10-11,16H,1-2,5-6,9,20H2
InChIKeyGIEKUCILPZHJGR-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.30
Rot. Bonds4

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

[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanamine (PubChem CID 139357730) 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]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanamine
PubChem CID139357730
Molecular FormulaC17H19F2N7
Molecular Weight359.38 g/mol
Exact Mass359.17
IUPAC Name[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanamine
SMILESNCC1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1
InChIInChI=1S/C17H19F2N7/c18-16(19)12-10-26-13(7-23-15(26)8-22-12)17-21-4-3-14(24-17)25-5-1-2-11(6-20)9-25/h3-4,7-8,10-11,16H,1-2,5-6,9,20H2
InChIKeyGIEKUCILPZHJGR-UHFFFAOYSA-N
XLogP2.30
TPSA85.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.30
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]piperidin-3-yl]methanamine?
The IUPAC name of [1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanamine (CID 139357730) is [1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanamine.
What is the SMILES notation for [1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanamine?
The canonical SMILES for [1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanamine is NCC1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1.
What is the InChIKey of [1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanamine?
The InChIKey is GIEKUCILPZHJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N7/c18-16(19)12-10-26-13(7-23-15(26)8-22-12)17-21-4-3-14(24-17)25-5-1-2-11(6-20)9-25/h3-4,7-8,10-11,16H,1-2,5-6,9,20H2.
What are the key properties of [1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanamine?
[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanamine has a molecular weight of 359.38 g/mol, XLogP of 2.30, 4 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]piperidin-3-yl]methanamine is sourced from PubChem (CID 139357730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).