N-[(3R)-piperidin-3-yl]-6-[7-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine

C19H21F3N6O — CID 58303402

IUPACN-[(3R)-piperidin-3-yl]-6-[7-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine
SMILESCC(Oc1ccn2c(-c3cncc(N[C@@H]4CCCNC4)n3)cnc2c1)C(F)(F)F
InChIInChI=1S/C19H21F3N6O/c1-12(19(20,21)22)29-14-4-6-28-16(10-25-18(28)7-14)15-9-24-11-17(27-15)26-13-3-2-5-23-8-13/h4,6-7,9-13,23H,2-3,5,8H2,1H3,(H,26,27)/t12?,13-/m1/s1
InChIKeyRGLXLVDAVWXSNA-ZGTCLIOFSA-N
MW406.41 g/mol
LogP3.28
Rot. Bonds5

About N-[(3R)-piperidin-3-yl]-6-[7-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine

N-[(3R)-piperidin-3-yl]-6-[7-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine (PubChem CID 58303402) has the molecular formula C19H21F3N6O and a molecular weight of 406.41 g/mol. Its IUPAC name is N-[(3R)-piperidin-3-yl]-6-[7-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[(3R)-piperidin-3-yl]-6-[7-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine
PubChem CID58303402
Molecular FormulaC19H21F3N6O
Molecular Weight406.41 g/mol
Exact Mass406.17
IUPAC NameN-[(3R)-piperidin-3-yl]-6-[7-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine
SMILESCC(Oc1ccn2c(-c3cncc(N[C@@H]4CCCNC4)n3)cnc2c1)C(F)(F)F
InChIInChI=1S/C19H21F3N6O/c1-12(19(20,21)22)29-14-4-6-28-16(10-25-18(28)7-14)15-9-24-11-17(27-15)26-13-3-2-5-23-8-13/h4,6-7,9-13,23H,2-3,5,8H2,1H3,(H,26,27)/t12?,13-/m1/s1
InChIKeyRGLXLVDAVWXSNA-ZGTCLIOFSA-N
XLogP3.28
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-piperidin-3-yl]-6-[7-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine?
The IUPAC name of N-[(3R)-piperidin-3-yl]-6-[7-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine (CID 58303402) is N-[(3R)-piperidin-3-yl]-6-[7-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine.
What is the SMILES notation for N-[(3R)-piperidin-3-yl]-6-[7-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine?
The canonical SMILES for N-[(3R)-piperidin-3-yl]-6-[7-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine is CC(Oc1ccn2c(-c3cncc(N[C@@H]4CCCNC4)n3)cnc2c1)C(F)(F)F.
What is the InChIKey of N-[(3R)-piperidin-3-yl]-6-[7-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine?
The InChIKey is RGLXLVDAVWXSNA-ZGTCLIOFSA-N. The full InChI is InChI=1S/C19H21F3N6O/c1-12(19(20,21)22)29-14-4-6-28-16(10-25-18(28)7-14)15-9-24-11-17(27-15)26-13-3-2-5-23-8-13/h4,6-7,9-13,23H,2-3,5,8H2,1H3,(H,26,27)/t12?,13-/m1/s1.
What are the key properties of N-[(3R)-piperidin-3-yl]-6-[7-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine?
N-[(3R)-piperidin-3-yl]-6-[7-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine has a molecular weight of 406.41 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-piperidin-3-yl]-6-[7-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine is sourced from PubChem (CID 58303402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).