(4R)-1-(3-methylpyrido[2,3-b]pyrazin-6-yl)-4-(2,4,5-trifluorophenyl)piperidin-3-amine

C19H18F3N5 — CID 70324409

IUPAC(4R)-1-(3-methylpyrido[2,3-b]pyrazin-6-yl)-4-(2,4,5-trifluorophenyl)piperidin-3-amine
SMILESCc1cnc2ccc(N3CC[C@H](c4cc(F)c(F)cc4F)C(N)C3)nc2n1
InChIInChI=1S/C19H18F3N5/c1-10-8-24-17-2-3-18(26-19(17)25-10)27-5-4-11(16(23)9-27)12-6-14(21)15(22)7-13(12)20/h2-3,6-8,11,16H,4-5,9,23H2,1H3/t11-,16?/m1/s1
InChIKeyZSOXSUMQBZSZNP-ZVDHGWRTSA-N
MW373.38 g/mol
LogP3.07
Rot. Bonds2

About (4R)-1-(3-methylpyrido[2,3-b]pyrazin-6-yl)-4-(2,4,5-trifluorophenyl)piperidin-3-amine

(4R)-1-(3-methylpyrido[2,3-b]pyrazin-6-yl)-4-(2,4,5-trifluorophenyl)piperidin-3-amine (PubChem CID 70324409) has the molecular formula C19H18F3N5 and a molecular weight of 373.38 g/mol. Its IUPAC name is (4R)-1-(3-methylpyrido[2,3-b]pyrazin-6-yl)-4-(2,4,5-trifluorophenyl)piperidin-3-amine.

Molecular Properties

Compound Name(4R)-1-(3-methylpyrido[2,3-b]pyrazin-6-yl)-4-(2,4,5-trifluorophenyl)piperidin-3-amine
PubChem CID70324409
Molecular FormulaC19H18F3N5
Molecular Weight373.38 g/mol
Exact Mass373.15
IUPAC Name(4R)-1-(3-methylpyrido[2,3-b]pyrazin-6-yl)-4-(2,4,5-trifluorophenyl)piperidin-3-amine
SMILESCc1cnc2ccc(N3CC[C@H](c4cc(F)c(F)cc4F)C(N)C3)nc2n1
InChIInChI=1S/C19H18F3N5/c1-10-8-24-17-2-3-18(26-19(17)25-10)27-5-4-11(16(23)9-27)12-6-14(21)15(22)7-13(12)20/h2-3,6-8,11,16H,4-5,9,23H2,1H3/t11-,16?/m1/s1
InChIKeyZSOXSUMQBZSZNP-ZVDHGWRTSA-N
XLogP3.07
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-(3-methylpyrido[2,3-b]pyrazin-6-yl)-4-(2,4,5-trifluorophenyl)piperidin-3-amine?
The IUPAC name of (4R)-1-(3-methylpyrido[2,3-b]pyrazin-6-yl)-4-(2,4,5-trifluorophenyl)piperidin-3-amine (CID 70324409) is (4R)-1-(3-methylpyrido[2,3-b]pyrazin-6-yl)-4-(2,4,5-trifluorophenyl)piperidin-3-amine.
What is the SMILES notation for (4R)-1-(3-methylpyrido[2,3-b]pyrazin-6-yl)-4-(2,4,5-trifluorophenyl)piperidin-3-amine?
The canonical SMILES for (4R)-1-(3-methylpyrido[2,3-b]pyrazin-6-yl)-4-(2,4,5-trifluorophenyl)piperidin-3-amine is Cc1cnc2ccc(N3CC[C@H](c4cc(F)c(F)cc4F)C(N)C3)nc2n1.
What is the InChIKey of (4R)-1-(3-methylpyrido[2,3-b]pyrazin-6-yl)-4-(2,4,5-trifluorophenyl)piperidin-3-amine?
The InChIKey is ZSOXSUMQBZSZNP-ZVDHGWRTSA-N. The full InChI is InChI=1S/C19H18F3N5/c1-10-8-24-17-2-3-18(26-19(17)25-10)27-5-4-11(16(23)9-27)12-6-14(21)15(22)7-13(12)20/h2-3,6-8,11,16H,4-5,9,23H2,1H3/t11-,16?/m1/s1.
What are the key properties of (4R)-1-(3-methylpyrido[2,3-b]pyrazin-6-yl)-4-(2,4,5-trifluorophenyl)piperidin-3-amine?
(4R)-1-(3-methylpyrido[2,3-b]pyrazin-6-yl)-4-(2,4,5-trifluorophenyl)piperidin-3-amine has a molecular weight of 373.38 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(3-methylpyrido[2,3-b]pyrazin-6-yl)-4-(2,4,5-trifluorophenyl)piperidin-3-amine is sourced from PubChem (CID 70324409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).