6-methoxy-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine

C16H16F3N7O — CID 171998019

IUPAC6-methoxy-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCOc1cc(NC2CCN(c3nccn4cc(C(F)(F)F)nc34)C2)ncn1
InChIInChI=1S/C16H16F3N7O/c1-27-13-6-12(21-9-22-13)23-10-2-4-25(7-10)14-15-24-11(16(17,18)19)8-26(15)5-3-20-14/h3,5-6,8-10H,2,4,7H2,1H3,(H,21,22,23)
InChIKeyMWXCCZPISSZLAQ-UHFFFAOYSA-N
MW379.35 g/mol
LogP2.24
Rot. Bonds4

About 6-methoxy-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine

6-methoxy-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine (PubChem CID 171998019) has the molecular formula C16H16F3N7O and a molecular weight of 379.35 g/mol. Its IUPAC name is 6-methoxy-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine
PubChem CID171998019
Molecular FormulaC16H16F3N7O
Molecular Weight379.35 g/mol
Exact Mass379.14
IUPAC Name6-methoxy-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCOc1cc(NC2CCN(c3nccn4cc(C(F)(F)F)nc34)C2)ncn1
InChIInChI=1S/C16H16F3N7O/c1-27-13-6-12(21-9-22-13)23-10-2-4-25(7-10)14-15-24-11(16(17,18)19)8-26(15)5-3-20-14/h3,5-6,8-10H,2,4,7H2,1H3,(H,21,22,23)
InChIKeyMWXCCZPISSZLAQ-UHFFFAOYSA-N
XLogP2.24
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine (CID 171998019) is 6-methoxy-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine is COc1cc(NC2CCN(c3nccn4cc(C(F)(F)F)nc34)C2)ncn1.
What is the InChIKey of 6-methoxy-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine?
The InChIKey is MWXCCZPISSZLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N7O/c1-27-13-6-12(21-9-22-13)23-10-2-4-25(7-10)14-15-24-11(16(17,18)19)8-26(15)5-3-20-14/h3,5-6,8-10H,2,4,7H2,1H3,(H,21,22,23).
What are the key properties of 6-methoxy-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine?
6-methoxy-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine has a molecular weight of 379.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 171998019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).