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

C16H17F2N7 — CID 139343435

IUPAC(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine
SMILESN[C@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1
InChIInChI=1S/C16H17F2N7/c17-15(18)11-9-25-12(6-22-14(25)7-21-11)16-20-4-3-13(23-16)24-5-1-2-10(19)8-24/h3-4,6-7,9-10,15H,1-2,5,8,19H2/t10-/m0/s1
InChIKeyYSPAASIWMJUIJN-JTQLQIEISA-N
MW345.36 g/mol
LogP2.05
Rot. Bonds3

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

(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine (PubChem CID 139343435) has the molecular formula C16H17F2N7 and a molecular weight of 345.36 g/mol. Its IUPAC name is (3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine
PubChem CID139343435
Molecular FormulaC16H17F2N7
Molecular Weight345.36 g/mol
Exact Mass345.15
IUPAC Name(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine
SMILESN[C@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1
InChIInChI=1S/C16H17F2N7/c17-15(18)11-9-25-12(6-22-14(25)7-21-11)16-20-4-3-13(23-16)24-5-1-2-10(19)8-24/h3-4,6-7,9-10,15H,1-2,5,8,19H2/t10-/m0/s1
InChIKeyYSPAASIWMJUIJN-JTQLQIEISA-N
XLogP2.05
TPSA85.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine?
The IUPAC name of (3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine (CID 139343435) is (3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine.
What is the SMILES notation for (3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine?
The canonical SMILES for (3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine is N[C@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1.
What is the InChIKey of (3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine?
The InChIKey is YSPAASIWMJUIJN-JTQLQIEISA-N. The full InChI is InChI=1S/C16H17F2N7/c17-15(18)11-9-25-12(6-22-14(25)7-21-11)16-20-4-3-13(23-16)24-5-1-2-10(19)8-24/h3-4,6-7,9-10,15H,1-2,5,8,19H2/t10-/m0/s1.
What are the key properties of (3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine?
(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine has a molecular weight of 345.36 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine is sourced from PubChem (CID 139343435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).