N-[(3R,4R)-4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl]-3,6-diethyl-5-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine

C26H31F3N6O2 — CID 69426217

IUPACN-[(3R,4R)-4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl]-3,6-diethyl-5-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine
SMILESCCO[C@@H]1CN(c2ccccn2)C[C@H]1Nc1nc(CC)c(-c2ccc(OC)nc2C(F)(F)F)nc1CC
InChIInChI=1S/C26H31F3N6O2/c1-5-17-23(16-11-12-22(36-4)34-24(16)26(27,28)29)31-18(6-2)25(32-17)33-19-14-35(15-20(19)37-7-3)21-10-8-9-13-30-21/h8-13,19-20H,5-7,14-15H2,1-4H3,(H,32,33)/t19-,20-/m1/s1
InChIKeyCEXLOBRTPRCCRS-WOJBJXKFSA-N
MW516.57 g/mol
LogP4.79
Rot. Bonds9

About N-[(3R,4R)-4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl]-3,6-diethyl-5-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine

N-[(3R,4R)-4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl]-3,6-diethyl-5-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine (PubChem CID 69426217) has the molecular formula C26H31F3N6O2 and a molecular weight of 516.57 g/mol. Its IUPAC name is N-[(3R,4R)-4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl]-3,6-diethyl-5-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[(3R,4R)-4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl]-3,6-diethyl-5-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine
PubChem CID69426217
Molecular FormulaC26H31F3N6O2
Molecular Weight516.57 g/mol
Exact Mass516.25
IUPAC NameN-[(3R,4R)-4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl]-3,6-diethyl-5-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine
SMILESCCO[C@@H]1CN(c2ccccn2)C[C@H]1Nc1nc(CC)c(-c2ccc(OC)nc2C(F)(F)F)nc1CC
InChIInChI=1S/C26H31F3N6O2/c1-5-17-23(16-11-12-22(36-4)34-24(16)26(27,28)29)31-18(6-2)25(32-17)33-19-14-35(15-20(19)37-7-3)21-10-8-9-13-30-21/h8-13,19-20H,5-7,14-15H2,1-4H3,(H,32,33)/t19-,20-/m1/s1
InChIKeyCEXLOBRTPRCCRS-WOJBJXKFSA-N
XLogP4.79
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.57
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(3R,4R)-4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl]-3,6-diethyl-5-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl]-3,6-diethyl-5-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine?
The IUPAC name of N-[(3R,4R)-4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl]-3,6-diethyl-5-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine (CID 69426217) is N-[(3R,4R)-4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl]-3,6-diethyl-5-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine.
What is the SMILES notation for N-[(3R,4R)-4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl]-3,6-diethyl-5-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine?
The canonical SMILES for N-[(3R,4R)-4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl]-3,6-diethyl-5-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine is CCO[C@@H]1CN(c2ccccn2)C[C@H]1Nc1nc(CC)c(-c2ccc(OC)nc2C(F)(F)F)nc1CC.
What is the InChIKey of N-[(3R,4R)-4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl]-3,6-diethyl-5-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine?
The InChIKey is CEXLOBRTPRCCRS-WOJBJXKFSA-N. The full InChI is InChI=1S/C26H31F3N6O2/c1-5-17-23(16-11-12-22(36-4)34-24(16)26(27,28)29)31-18(6-2)25(32-17)33-19-14-35(15-20(19)37-7-3)21-10-8-9-13-30-21/h8-13,19-20H,5-7,14-15H2,1-4H3,(H,32,33)/t19-,20-/m1/s1.
What are the key properties of N-[(3R,4R)-4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl]-3,6-diethyl-5-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine?
N-[(3R,4R)-4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl]-3,6-diethyl-5-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine has a molecular weight of 516.57 g/mol, XLogP of 4.79, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl]-3,6-diethyl-5-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 69426217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).