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

C16H16F3N7O — CID 171998020

IUPAC4-methoxy-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-2-amine
SMILESCOc1ccnc(NC2CCN(c3nccn4cc(C(F)(F)F)nc34)C2)n1
InChIInChI=1S/C16H16F3N7O/c1-27-12-2-4-21-15(24-12)22-10-3-6-25(8-10)13-14-23-11(16(17,18)19)9-26(14)7-5-20-13/h2,4-5,7,9-10H,3,6,8H2,1H3,(H,21,22,24)
InChIKeyYAYPNKALZNZWKC-UHFFFAOYSA-N
MW379.35 g/mol
LogP2.24
Rot. Bonds4

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

4-methoxy-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-2-amine (PubChem CID 171998020) has the molecular formula C16H16F3N7O and a molecular weight of 379.35 g/mol. Its IUPAC name is 4-methoxy-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-2-amine
PubChem CID171998020
Molecular FormulaC16H16F3N7O
Molecular Weight379.35 g/mol
Exact Mass379.14
IUPAC Name4-methoxy-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-2-amine
SMILESCOc1ccnc(NC2CCN(c3nccn4cc(C(F)(F)F)nc34)C2)n1
InChIInChI=1S/C16H16F3N7O/c1-27-12-2-4-21-15(24-12)22-10-3-6-25(8-10)13-14-23-11(16(17,18)19)9-26(14)7-5-20-13/h2,4-5,7,9-10H,3,6,8H2,1H3,(H,21,22,24)
InChIKeyYAYPNKALZNZWKC-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 4-methoxy-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-2-amine (CID 171998020) is 4-methoxy-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-2-amine is COc1ccnc(NC2CCN(c3nccn4cc(C(F)(F)F)nc34)C2)n1.
What is the InChIKey of 4-methoxy-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-2-amine?
The InChIKey is YAYPNKALZNZWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N7O/c1-27-12-2-4-21-15(24-12)22-10-3-6-25(8-10)13-14-23-11(16(17,18)19)9-26(14)7-5-20-13/h2,4-5,7,9-10H,3,6,8H2,1H3,(H,21,22,24).
What are the key properties of 4-methoxy-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-2-amine?
4-methoxy-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-2-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 4-methoxy-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 171998020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).