1-[2-amino-3-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylpropane-1,2-diol

C23H27F2N5O2 — CID 177190913

IUPAC1-[2-amino-3-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylpropane-1,2-diol
SMILESCC(C)(O)C(O)c1cc2nc(N)c(N3CCC(Cc4ccc(F)cc4F)CC3)nc2cn1
InChIInChI=1S/C23H27F2N5O2/c1-23(2,32)20(31)18-11-17-19(12-27-18)29-22(21(26)28-17)30-7-5-13(6-8-30)9-14-3-4-15(24)10-16(14)25/h3-4,10-13,20,31-32H,5-9H2,1-2H3,(H2,26,28)
InChIKeyVPLNCKUOHCOWRL-UHFFFAOYSA-N
MW443.50 g/mol
LogP3.15
Rot. Bonds5

About 1-[2-amino-3-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylpropane-1,2-diol

1-[2-amino-3-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylpropane-1,2-diol (PubChem CID 177190913) has the molecular formula C23H27F2N5O2 and a molecular weight of 443.50 g/mol. Its IUPAC name is 1-[2-amino-3-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name1-[2-amino-3-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylpropane-1,2-diol
PubChem CID177190913
Molecular FormulaC23H27F2N5O2
Molecular Weight443.50 g/mol
Exact Mass443.21
IUPAC Name1-[2-amino-3-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylpropane-1,2-diol
SMILESCC(C)(O)C(O)c1cc2nc(N)c(N3CCC(Cc4ccc(F)cc4F)CC3)nc2cn1
InChIInChI=1S/C23H27F2N5O2/c1-23(2,32)20(31)18-11-17-19(12-27-18)29-22(21(26)28-17)30-7-5-13(6-8-30)9-14-3-4-15(24)10-16(14)25/h3-4,10-13,20,31-32H,5-9H2,1-2H3,(H2,26,28)
InChIKeyVPLNCKUOHCOWRL-UHFFFAOYSA-N
XLogP3.15
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[2-amino-3-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylpropane-1,2-diol 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

(R)-1-(7-((5-Fluoro-2-(trifluoromethyl)pyridin-4-yl)amino)-1,6-naphthyridin-2-yl)-1-(1-methylpiperidin-4-yl)ethanol
CID 162439673
Cdk5-IN-3
CID 156212722
2-[8-Azanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-5-yl]propan-2-ol
CID 139592531
(1R)-1-[7-[(5-fluoro-2-morpholin-4-yl-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 166628927
(1R)-1-[7-(2-fluoro-5-morpholin-4-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 166627311
(1R)-1-[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 166631508
(1R)-1-[7-[(5-fluoro-2-pyrrolidin-1-yl-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 166631779
(1R)-1-[7-[(2-ethyl-5-fluoro-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 166632020
(1R)-1-[7-[(5-fluoro-2-propan-2-yl-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 166632368
3-fluoro-4-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]benzonitrile
CID 166635285
(1R)-1-[7-(5-ethyl-2-fluoroanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 166636505
2-[6-(2-Hydroxypropan-2-yl)-3-pyridinyl]-8-[(4-methoxycyclohexyl)methyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 46215565

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-3-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylpropane-1,2-diol?
The IUPAC name of 1-[2-amino-3-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylpropane-1,2-diol (CID 177190913) is 1-[2-amino-3-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylpropane-1,2-diol.
What is the SMILES notation for 1-[2-amino-3-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylpropane-1,2-diol?
The canonical SMILES for 1-[2-amino-3-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylpropane-1,2-diol is CC(C)(O)C(O)c1cc2nc(N)c(N3CCC(Cc4ccc(F)cc4F)CC3)nc2cn1.
What is the InChIKey of 1-[2-amino-3-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylpropane-1,2-diol?
The InChIKey is VPLNCKUOHCOWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N5O2/c1-23(2,32)20(31)18-11-17-19(12-27-18)29-22(21(26)28-17)30-7-5-13(6-8-30)9-14-3-4-15(24)10-16(14)25/h3-4,10-13,20,31-32H,5-9H2,1-2H3,(H2,26,28).
What are the key properties of 1-[2-amino-3-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylpropane-1,2-diol?
1-[2-amino-3-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylpropane-1,2-diol has a molecular weight of 443.50 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-3-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylpropane-1,2-diol is sourced from PubChem (CID 177190913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).