1-[6-(2-chloro-3-fluorophenyl)pyrido[2,3-b]pyrazin-2-yl]-4-methylpiperidin-4-amine

C19H19ClFN5 — CID 146485587

IUPAC1-[6-(2-chloro-3-fluorophenyl)pyrido[2,3-b]pyrazin-2-yl]-4-methylpiperidin-4-amine
SMILESCC1(N)CCN(c2cnc3nc(-c4cccc(F)c4Cl)ccc3n2)CC1
InChIInChI=1S/C19H19ClFN5/c1-19(22)7-9-26(10-8-19)16-11-23-18-15(24-16)6-5-14(25-18)12-3-2-4-13(21)17(12)20/h2-6,11H,7-10,22H2,1H3
InChIKeyVXPBVNMZIVLSIV-UHFFFAOYSA-N
MW371.85 g/mol
LogP3.80
Rot. Bonds2

About 1-[6-(2-chloro-3-fluorophenyl)pyrido[2,3-b]pyrazin-2-yl]-4-methylpiperidin-4-amine

1-[6-(2-chloro-3-fluorophenyl)pyrido[2,3-b]pyrazin-2-yl]-4-methylpiperidin-4-amine (PubChem CID 146485587) has the molecular formula C19H19ClFN5 and a molecular weight of 371.85 g/mol. Its IUPAC name is 1-[6-(2-chloro-3-fluorophenyl)pyrido[2,3-b]pyrazin-2-yl]-4-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[6-(2-chloro-3-fluorophenyl)pyrido[2,3-b]pyrazin-2-yl]-4-methylpiperidin-4-amine
PubChem CID146485587
Molecular FormulaC19H19ClFN5
Molecular Weight371.85 g/mol
Exact Mass371.13
IUPAC Name1-[6-(2-chloro-3-fluorophenyl)pyrido[2,3-b]pyrazin-2-yl]-4-methylpiperidin-4-amine
SMILESCC1(N)CCN(c2cnc3nc(-c4cccc(F)c4Cl)ccc3n2)CC1
InChIInChI=1S/C19H19ClFN5/c1-19(22)7-9-26(10-8-19)16-11-23-18-15(24-16)6-5-14(25-18)12-3-2-4-13(21)17(12)20/h2-6,11H,7-10,22H2,1H3
InChIKeyVXPBVNMZIVLSIV-UHFFFAOYSA-N
XLogP3.80
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-chloro-3-fluorophenyl)pyrido[2,3-b]pyrazin-2-yl]-4-methylpiperidin-4-amine?
The IUPAC name of 1-[6-(2-chloro-3-fluorophenyl)pyrido[2,3-b]pyrazin-2-yl]-4-methylpiperidin-4-amine (CID 146485587) is 1-[6-(2-chloro-3-fluorophenyl)pyrido[2,3-b]pyrazin-2-yl]-4-methylpiperidin-4-amine.
What is the SMILES notation for 1-[6-(2-chloro-3-fluorophenyl)pyrido[2,3-b]pyrazin-2-yl]-4-methylpiperidin-4-amine?
The canonical SMILES for 1-[6-(2-chloro-3-fluorophenyl)pyrido[2,3-b]pyrazin-2-yl]-4-methylpiperidin-4-amine is CC1(N)CCN(c2cnc3nc(-c4cccc(F)c4Cl)ccc3n2)CC1.
What is the InChIKey of 1-[6-(2-chloro-3-fluorophenyl)pyrido[2,3-b]pyrazin-2-yl]-4-methylpiperidin-4-amine?
The InChIKey is VXPBVNMZIVLSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN5/c1-19(22)7-9-26(10-8-19)16-11-23-18-15(24-16)6-5-14(25-18)12-3-2-4-13(21)17(12)20/h2-6,11H,7-10,22H2,1H3.
What are the key properties of 1-[6-(2-chloro-3-fluorophenyl)pyrido[2,3-b]pyrazin-2-yl]-4-methylpiperidin-4-amine?
1-[6-(2-chloro-3-fluorophenyl)pyrido[2,3-b]pyrazin-2-yl]-4-methylpiperidin-4-amine has a molecular weight of 371.85 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-chloro-3-fluorophenyl)pyrido[2,3-b]pyrazin-2-yl]-4-methylpiperidin-4-amine is sourced from PubChem (CID 146485587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).