3-[4-[(5-chloro-2-fluorophenyl)-difluoromethyl]piperidin-1-yl]-N-cyclopropyl-5-methylpyrido[3,4-b]pyrazin-2-amine

C23H23ClF3N5 — CID 90037265

IUPAC3-[4-[(5-chloro-2-fluorophenyl)-difluoromethyl]piperidin-1-yl]-N-cyclopropyl-5-methylpyrido[3,4-b]pyrazin-2-amine
SMILESCc1nccc2nc(NC3CC3)c(N3CCC(C(F)(F)c4cc(Cl)ccc4F)CC3)nc12
InChIInChI=1S/C23H23ClF3N5/c1-13-20-19(6-9-28-13)30-21(29-16-3-4-16)22(31-20)32-10-7-14(8-11-32)23(26,27)17-12-15(24)2-5-18(17)25/h2,5-6,9,12,14,16H,3-4,7-8,10-11H2,1H3,(H,29,30)
InChIKeyGETXKAUNFCDBNU-UHFFFAOYSA-N
MW461.92 g/mol
LogP5.71
Rot. Bonds5

About 3-[4-[(5-chloro-2-fluorophenyl)-difluoromethyl]piperidin-1-yl]-N-cyclopropyl-5-methylpyrido[3,4-b]pyrazin-2-amine

3-[4-[(5-chloro-2-fluorophenyl)-difluoromethyl]piperidin-1-yl]-N-cyclopropyl-5-methylpyrido[3,4-b]pyrazin-2-amine (PubChem CID 90037265) has the molecular formula C23H23ClF3N5 and a molecular weight of 461.92 g/mol. Its IUPAC name is 3-[4-[(5-chloro-2-fluorophenyl)-difluoromethyl]piperidin-1-yl]-N-cyclopropyl-5-methylpyrido[3,4-b]pyrazin-2-amine.

Molecular Properties

Compound Name3-[4-[(5-chloro-2-fluorophenyl)-difluoromethyl]piperidin-1-yl]-N-cyclopropyl-5-methylpyrido[3,4-b]pyrazin-2-amine
PubChem CID90037265
Molecular FormulaC23H23ClF3N5
Molecular Weight461.92 g/mol
Exact Mass461.16
IUPAC Name3-[4-[(5-chloro-2-fluorophenyl)-difluoromethyl]piperidin-1-yl]-N-cyclopropyl-5-methylpyrido[3,4-b]pyrazin-2-amine
SMILESCc1nccc2nc(NC3CC3)c(N3CCC(C(F)(F)c4cc(Cl)ccc4F)CC3)nc12
InChIInChI=1S/C23H23ClF3N5/c1-13-20-19(6-9-28-13)30-21(29-16-3-4-16)22(31-20)32-10-7-14(8-11-32)23(26,27)17-12-15(24)2-5-18(17)25/h2,5-6,9,12,14,16H,3-4,7-8,10-11H2,1H3,(H,29,30)
InChIKeyGETXKAUNFCDBNU-UHFFFAOYSA-N
XLogP5.71
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.92
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-[(5-chloro-2-fluorophenyl)-difluoromethyl]piperidin-1-yl]-N-cyclopropyl-5-methylpyrido[3,4-b]pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[(5-chloro-2-fluorophenyl)-difluoromethyl]piperidin-1-yl]-2-(cyclopropylamino)quinoxaline-6-carbonitrile
CID 90037641
(4-chloro-2-methylphenyl)-[4-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperazin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 172803768
2-(cyclopropylamino)-3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazine-5-carbonitrile
CID 90037467
N-cyclopropyl-2-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-3-amine
CID 118308506
N-cyclopropyl-3-[4-(2-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]quinoxalin-2-amine
CID 118308643
N-cyclopropyl-3-[4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid
CID 90038649
N-cyclopropyl-3-[4-[(R)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid
CID 127024295
7-chloro-N-cyclopropyl-3-[4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid
CID 127024110
[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]-(2,6-difluorophenyl)methanone;2,2,2-trifluoroacetic acid
CID 127024837
N-cyclopropyl-3-[4-[(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine
CID 118308584
N-cyclobutyl-3-[4-[(2,5-difluorophenyl)-fluoromethyl]piperidin-1-yl]quinoxalin-2-amine
CID 118308639
N-cyclopropyl-3-[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine
CID 90040007

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-chloro-2-fluorophenyl)-difluoromethyl]piperidin-1-yl]-N-cyclopropyl-5-methylpyrido[3,4-b]pyrazin-2-amine?
The IUPAC name of 3-[4-[(5-chloro-2-fluorophenyl)-difluoromethyl]piperidin-1-yl]-N-cyclopropyl-5-methylpyrido[3,4-b]pyrazin-2-amine (CID 90037265) is 3-[4-[(5-chloro-2-fluorophenyl)-difluoromethyl]piperidin-1-yl]-N-cyclopropyl-5-methylpyrido[3,4-b]pyrazin-2-amine.
What is the SMILES notation for 3-[4-[(5-chloro-2-fluorophenyl)-difluoromethyl]piperidin-1-yl]-N-cyclopropyl-5-methylpyrido[3,4-b]pyrazin-2-amine?
The canonical SMILES for 3-[4-[(5-chloro-2-fluorophenyl)-difluoromethyl]piperidin-1-yl]-N-cyclopropyl-5-methylpyrido[3,4-b]pyrazin-2-amine is Cc1nccc2nc(NC3CC3)c(N3CCC(C(F)(F)c4cc(Cl)ccc4F)CC3)nc12.
What is the InChIKey of 3-[4-[(5-chloro-2-fluorophenyl)-difluoromethyl]piperidin-1-yl]-N-cyclopropyl-5-methylpyrido[3,4-b]pyrazin-2-amine?
The InChIKey is GETXKAUNFCDBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF3N5/c1-13-20-19(6-9-28-13)30-21(29-16-3-4-16)22(31-20)32-10-7-14(8-11-32)23(26,27)17-12-15(24)2-5-18(17)25/h2,5-6,9,12,14,16H,3-4,7-8,10-11H2,1H3,(H,29,30).
What are the key properties of 3-[4-[(5-chloro-2-fluorophenyl)-difluoromethyl]piperidin-1-yl]-N-cyclopropyl-5-methylpyrido[3,4-b]pyrazin-2-amine?
3-[4-[(5-chloro-2-fluorophenyl)-difluoromethyl]piperidin-1-yl]-N-cyclopropyl-5-methylpyrido[3,4-b]pyrazin-2-amine has a molecular weight of 461.92 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(5-chloro-2-fluorophenyl)-difluoromethyl]piperidin-1-yl]-N-cyclopropyl-5-methylpyrido[3,4-b]pyrazin-2-amine is sourced from PubChem (CID 90037265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).