N-cyclopropyl-3-[4-[fluoro-(4-fluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine

C22H23F2N5 — CID 118308577

IUPACN-cyclopropyl-3-[4-[fluoro-(4-fluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine
SMILESFc1ccc(C(F)C2CCN(c3nc4cnccc4nc3NC3CC3)CC2)cc1
InChIInChI=1S/C22H23F2N5/c23-16-3-1-14(2-4-16)20(24)15-8-11-29(12-9-15)22-21(26-17-5-6-17)27-18-7-10-25-13-19(18)28-22/h1-4,7,10,13,15,17,20H,5-6,8-9,11-12H2,(H,26,27)
InChIKeyPUEDKSMVTVTFAF-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.67
Rot. Bonds5

About N-cyclopropyl-3-[4-[fluoro-(4-fluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine

N-cyclopropyl-3-[4-[fluoro-(4-fluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine (PubChem CID 118308577) has the molecular formula C22H23F2N5 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-[fluoro-(4-fluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-[fluoro-(4-fluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine
PubChem CID118308577
Molecular FormulaC22H23F2N5
Molecular Weight395.46 g/mol
Exact Mass395.19
IUPAC NameN-cyclopropyl-3-[4-[fluoro-(4-fluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine
SMILESFc1ccc(C(F)C2CCN(c3nc4cnccc4nc3NC3CC3)CC2)cc1
InChIInChI=1S/C22H23F2N5/c23-16-3-1-14(2-4-16)20(24)15-8-11-29(12-9-15)22-21(26-17-5-6-17)27-18-7-10-25-13-19(18)28-22/h1-4,7,10,13,15,17,20H,5-6,8-9,11-12H2,(H,26,27)
InChIKeyPUEDKSMVTVTFAF-UHFFFAOYSA-N
XLogP4.67
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-3-[4-[fluoro-(4-fluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine with MolForge

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Related Compounds

N-cyclopropyl-3-[4-[(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine
CID 118308584
N-cyclopropyl-3-[4-(3-fluorophenoxy)piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine
CID 118308645
N-cyclopropyl-3-[4-(2-methoxyphenoxy)piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine
CID 118308534
N-cyclopropyl-3-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine
CID 118308589
[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]-(3-methoxyazetidin-1-yl)methanone;N-cyclopropyl-3-[4-[(2,5-difluorophenyl)-fluoromethyl]piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-amine
CID 118308605
2-[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]oxybenzonitrile
CID 90038583
N-cyclobutyl-3-[4-[(2,5-difluorophenyl)-fluoromethyl]piperidin-1-yl]quinoxalin-2-amine
CID 118308639
[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]-(2,6-difluorophenyl)methanone;2,2,2-trifluoroacetic acid
CID 127024837
3-(cyclopropylamino)-2-[4-[(2,5-difluorophenyl)-fluoromethyl]piperidin-1-yl]quinoxaline-6-carbonitrile
CID 90038346
N-cyclopropyl-3-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid
CID 127024728
N-cyclopropyl-2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-3-amine;2,2,2-trifluoroacetic acid
CID 127024455
N-cyclopropyl-3-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine
CID 90038935

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-[fluoro-(4-fluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine?
The IUPAC name of N-cyclopropyl-3-[4-[fluoro-(4-fluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine (CID 118308577) is N-cyclopropyl-3-[4-[fluoro-(4-fluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine.
What is the SMILES notation for N-cyclopropyl-3-[4-[fluoro-(4-fluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine?
The canonical SMILES for N-cyclopropyl-3-[4-[fluoro-(4-fluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine is Fc1ccc(C(F)C2CCN(c3nc4cnccc4nc3NC3CC3)CC2)cc1.
What is the InChIKey of N-cyclopropyl-3-[4-[fluoro-(4-fluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine?
The InChIKey is PUEDKSMVTVTFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5/c23-16-3-1-14(2-4-16)20(24)15-8-11-29(12-9-15)22-21(26-17-5-6-17)27-18-7-10-25-13-19(18)28-22/h1-4,7,10,13,15,17,20H,5-6,8-9,11-12H2,(H,26,27).
What are the key properties of N-cyclopropyl-3-[4-[fluoro-(4-fluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine?
N-cyclopropyl-3-[4-[fluoro-(4-fluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine has a molecular weight of 395.46 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-[fluoro-(4-fluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine is sourced from PubChem (CID 118308577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).