6-(2,3-dihydroimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4R)-4-(2,2,2-trifluoroethoxy)pyrrolidin-3-yl]pyrazin-2-amine

C17H19F3N6O — CID 70919760

IUPAC6-(2,3-dihydroimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4R)-4-(2,2,2-trifluoroethoxy)pyrrolidin-3-yl]pyrazin-2-amine
SMILESFC(F)(F)CO[C@@H]1CNC[C@@H]1Nc1cncc(C2CN=C3C=CC=CN32)n1
InChIInChI=1S/C17H19F3N6O/c18-17(19,20)10-27-14-8-21-6-12(14)25-15-9-22-5-11(24-15)13-7-23-16-3-1-2-4-26(13)16/h1-5,9,12-14,21H,6-8,10H2,(H,24,25)/t12-,13?,14+/m0/s1
InChIKeyJOVPKQXTWBRYRD-SMEJFCCLSA-N
MW380.37 g/mol
LogP1.65
Rot. Bonds5

About 6-(2,3-dihydroimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4R)-4-(2,2,2-trifluoroethoxy)pyrrolidin-3-yl]pyrazin-2-amine

6-(2,3-dihydroimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4R)-4-(2,2,2-trifluoroethoxy)pyrrolidin-3-yl]pyrazin-2-amine (PubChem CID 70919760) has the molecular formula C17H19F3N6O and a molecular weight of 380.37 g/mol. Its IUPAC name is 6-(2,3-dihydroimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4R)-4-(2,2,2-trifluoroethoxy)pyrrolidin-3-yl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(2,3-dihydroimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4R)-4-(2,2,2-trifluoroethoxy)pyrrolidin-3-yl]pyrazin-2-amine
PubChem CID70919760
Molecular FormulaC17H19F3N6O
Molecular Weight380.37 g/mol
Exact Mass380.16
IUPAC Name6-(2,3-dihydroimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4R)-4-(2,2,2-trifluoroethoxy)pyrrolidin-3-yl]pyrazin-2-amine
SMILESFC(F)(F)CO[C@@H]1CNC[C@@H]1Nc1cncc(C2CN=C3C=CC=CN32)n1
InChIInChI=1S/C17H19F3N6O/c18-17(19,20)10-27-14-8-21-6-12(14)25-15-9-22-5-11(24-15)13-7-23-16-3-1-2-4-26(13)16/h1-5,9,12-14,21H,6-8,10H2,(H,24,25)/t12-,13?,14+/m0/s1
InChIKeyJOVPKQXTWBRYRD-SMEJFCCLSA-N
XLogP1.65
TPSA74.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(2,3-dihydroimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4R)-4-(2,2,2-trifluoroethoxy)pyrrolidin-3-yl]pyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4R)-4-(2,2,2-trifluoroethoxy)pyrrolidin-3-yl]pyrazin-2-amine?
The IUPAC name of 6-(2,3-dihydroimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4R)-4-(2,2,2-trifluoroethoxy)pyrrolidin-3-yl]pyrazin-2-amine (CID 70919760) is 6-(2,3-dihydroimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4R)-4-(2,2,2-trifluoroethoxy)pyrrolidin-3-yl]pyrazin-2-amine.
What is the SMILES notation for 6-(2,3-dihydroimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4R)-4-(2,2,2-trifluoroethoxy)pyrrolidin-3-yl]pyrazin-2-amine?
The canonical SMILES for 6-(2,3-dihydroimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4R)-4-(2,2,2-trifluoroethoxy)pyrrolidin-3-yl]pyrazin-2-amine is FC(F)(F)CO[C@@H]1CNC[C@@H]1Nc1cncc(C2CN=C3C=CC=CN32)n1.
What is the InChIKey of 6-(2,3-dihydroimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4R)-4-(2,2,2-trifluoroethoxy)pyrrolidin-3-yl]pyrazin-2-amine?
The InChIKey is JOVPKQXTWBRYRD-SMEJFCCLSA-N. The full InChI is InChI=1S/C17H19F3N6O/c18-17(19,20)10-27-14-8-21-6-12(14)25-15-9-22-5-11(24-15)13-7-23-16-3-1-2-4-26(13)16/h1-5,9,12-14,21H,6-8,10H2,(H,24,25)/t12-,13?,14+/m0/s1.
What are the key properties of 6-(2,3-dihydroimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4R)-4-(2,2,2-trifluoroethoxy)pyrrolidin-3-yl]pyrazin-2-amine?
6-(2,3-dihydroimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4R)-4-(2,2,2-trifluoroethoxy)pyrrolidin-3-yl]pyrazin-2-amine has a molecular weight of 380.37 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4R)-4-(2,2,2-trifluoroethoxy)pyrrolidin-3-yl]pyrazin-2-amine is sourced from PubChem (CID 70919760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).