N-cyclopropyl-3-[4-[(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine

C22H22F3N5 — CID 118308584

IUPACN-cyclopropyl-3-[4-[(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine
SMILESFc1ccc(C(F)C2CCN(c3nc4cnccc4nc3NC3CC3)CC2)c(F)c1
InChIInChI=1S/C22H22F3N5/c23-14-1-4-16(17(24)11-14)20(25)13-6-9-30(10-7-13)22-21(27-15-2-3-15)28-18-5-8-26-12-19(18)29-22/h1,4-5,8,11-13,15,20H,2-3,6-7,9-10H2,(H,27,28)
InChIKeyIBCRFIIKJWCMHD-UHFFFAOYSA-N
MW413.45 g/mol
LogP4.80
Rot. Bonds5

About N-cyclopropyl-3-[4-[(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine

N-cyclopropyl-3-[4-[(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine (PubChem CID 118308584) has the molecular formula C22H22F3N5 and a molecular weight of 413.45 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-[(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-[(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine
PubChem CID118308584
Molecular FormulaC22H22F3N5
Molecular Weight413.45 g/mol
Exact Mass413.18
IUPAC NameN-cyclopropyl-3-[4-[(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine
SMILESFc1ccc(C(F)C2CCN(c3nc4cnccc4nc3NC3CC3)CC2)c(F)c1
InChIInChI=1S/C22H22F3N5/c23-14-1-4-16(17(24)11-14)20(25)13-6-9-30(10-7-13)22-21(27-15-2-3-15)28-18-5-8-26-12-19(18)29-22/h1,4-5,8,11-13,15,20H,2-3,6-7,9-10H2,(H,27,28)
InChIKeyIBCRFIIKJWCMHD-UHFFFAOYSA-N
XLogP4.80
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-cyclopropyl-3-[4-[fluoro-(4-fluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine
CID 118308577
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
N-cyclobutyl-3-[4-[(2,5-difluorophenyl)-fluoromethyl]piperidin-1-yl]quinoxalin-2-amine
CID 118308639
5-(cyclopropylamino)-6-[4-[(R)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 118319046
[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
N-cyclopropyl-3-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine
CID 118308589
N-cyclopropyl-3-[4-(3-fluorophenoxy)piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine
CID 118308645
3-(cyclopropylamino)-2-[4-[(2,5-difluorophenyl)-fluoromethyl]piperidin-1-yl]quinoxaline-6-carbonitrile
CID 90038346
N-cyclopropyl-3-[4-(2-methoxyphenoxy)piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine
CID 118308534
2-[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]oxybenzonitrile
CID 90038583

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-[(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine?
The IUPAC name of N-cyclopropyl-3-[4-[(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine (CID 118308584) is N-cyclopropyl-3-[4-[(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine.
What is the SMILES notation for N-cyclopropyl-3-[4-[(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine?
The canonical SMILES for N-cyclopropyl-3-[4-[(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine is Fc1ccc(C(F)C2CCN(c3nc4cnccc4nc3NC3CC3)CC2)c(F)c1.
What is the InChIKey of N-cyclopropyl-3-[4-[(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine?
The InChIKey is IBCRFIIKJWCMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5/c23-14-1-4-16(17(24)11-14)20(25)13-6-9-30(10-7-13)22-21(27-15-2-3-15)28-18-5-8-26-12-19(18)29-22/h1,4-5,8,11-13,15,20H,2-3,6-7,9-10H2,(H,27,28).
What are the key properties of N-cyclopropyl-3-[4-[(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine?
N-cyclopropyl-3-[4-[(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine has a molecular weight of 413.45 g/mol, XLogP of 4.80, 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-[(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine is sourced from PubChem (CID 118308584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).