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

C24H23F6N5O2 — CID 127024159

IUPACN-cyclopropyl-3-[4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid
SMILESFc1ccc([C@@H](F)C2CCN(c3nc4cnccc4nc3NC3CC3)CC2)c(F)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H22F3N5.C2HF3O2/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;3-2(4,5)1(6)7/h1,4-5,8,11-13,15,20H,2-3,6-7,9-10H2,(H,27,28);(H,6,7)/t20-;/m0./s1
InChIKeyODPXLAURZFBOBU-BDQAORGHSA-N
MW527.47 g/mol
LogP5.44
Rot. Bonds5

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

N-cyclopropyl-3-[4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 127024159) has the molecular formula C24H23F6N5O2 and a molecular weight of 527.47 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid
PubChem CID127024159
Molecular FormulaC24H23F6N5O2
Molecular Weight527.47 g/mol
Exact Mass527.18
IUPAC NameN-cyclopropyl-3-[4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid
SMILESFc1ccc([C@@H](F)C2CCN(c3nc4cnccc4nc3NC3CC3)CC2)c(F)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H22F3N5.C2HF3O2/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;3-2(4,5)1(6)7/h1,4-5,8,11-13,15,20H,2-3,6-7,9-10H2,(H,27,28);(H,6,7)/t20-;/m0./s1
InChIKeyODPXLAURZFBOBU-BDQAORGHSA-N
XLogP5.44
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.47
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

7-[6-(Dimethylamino)pyridin-3-Yl]-~{n}-[[(3~{s})-Piperidin-3-Yl]methyl]pyrido[3,4-B]pyrazin-5-Amine
CID 66555698
3-{4-[(2,4-difluorophenyl)methyl]piperazin-1-yl}-7-methyl-N-(propan-2-yl)pyrido[3,4-b]pyrazin-2-amine
CID 118310209
(4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyridin-2-yl)-pyrido[3,2-d]pyrimidin-4-yl]amine
CID 10151288
4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-7-oxido-N-piperidin-4-yl-1,7-naphthyridin-7-ium-2-amine
CID 24898751
1-[[2-(4-Methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]-3-quinolin-5-ylurea
CID 71237040
1-[8-(3-Fluorophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid
CID 9999401
7-[3-(Trifluoromethyl)pyridin-2-yl]-N-[5-(trifluoromethyl)-pyridin-2-yl]-1,5-naphthyridin-4-amine
CID 46203540
7-[6-(dimethylamino)-3-pyridinyl]-N-[[(2R)-1-methylpiperazin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 66554658
7-[6-(dimethylamino)pyridin-3-yl]-N-(2,2,2-trifluoroethyl)pyrido[3,4-b]pyrazin-5-amine
CID 66555696
3-[[7-[6-(Dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]amino]propanamide
CID 66555697
N'-[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]butane-1,4-diamine
CID 66556203
4-[[7-[6-(Dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]amino]butan-1-ol
CID 66556366

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 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 127024159) is N-cyclopropyl-3-[4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-cyclopropyl-3-[4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-cyclopropyl-3-[4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid is Fc1ccc([C@@H](F)C2CCN(c3nc4cnccc4nc3NC3CC3)CC2)c(F)c1.O=C(O)C(F)(F)F.
What is the InChIKey of N-cyclopropyl-3-[4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is ODPXLAURZFBOBU-BDQAORGHSA-N. The full InChI is InChI=1S/C22H22F3N5.C2HF3O2/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;3-2(4,5)1(6)7/h1,4-5,8,11-13,15,20H,2-3,6-7,9-10H2,(H,27,28);(H,6,7)/t20-;/m0./s1.
What are the key properties of N-cyclopropyl-3-[4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid?
N-cyclopropyl-3-[4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 527.47 g/mol, XLogP of 5.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 127024159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).