3-[(1S)-1-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylimidazo[4,5-b]pyrazin-5-amine

C28H26FN9O — CID 162691313

IUPAC3-[(1S)-1-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylimidazo[4,5-b]pyrazin-5-amine
SMILESCOc1ncccc1CNc1cnc2nc(C)n([C@@H](C)c3cc4cc(-c5cnn(C)c5)cnc4cc3F)c2n1
InChIInChI=1S/C28H26FN9O/c1-16(22-9-19-8-20(21-13-34-37(3)15-21)12-31-24(19)10-23(22)29)38-17(2)35-26-27(38)36-25(14-33-26)32-11-18-6-5-7-30-28(18)39-4/h5-10,12-16H,11H2,1-4H3,(H,32,36)/t16-/m0/s1
InChIKeyJAGGORYKMYRTNS-INIZCTEOSA-N
MW523.58 g/mol
LogP4.85
Rot. Bonds7

About 3-[(1S)-1-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylimidazo[4,5-b]pyrazin-5-amine

3-[(1S)-1-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylimidazo[4,5-b]pyrazin-5-amine (PubChem CID 162691313) has the molecular formula C28H26FN9O and a molecular weight of 523.58 g/mol. Its IUPAC name is 3-[(1S)-1-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylimidazo[4,5-b]pyrazin-5-amine.

Molecular Properties

Compound Name3-[(1S)-1-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylimidazo[4,5-b]pyrazin-5-amine
PubChem CID162691313
Molecular FormulaC28H26FN9O
Molecular Weight523.58 g/mol
Exact Mass523.22
IUPAC Name3-[(1S)-1-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylimidazo[4,5-b]pyrazin-5-amine
SMILESCOc1ncccc1CNc1cnc2nc(C)n([C@@H](C)c3cc4cc(-c5cnn(C)c5)cnc4cc3F)c2n1
InChIInChI=1S/C28H26FN9O/c1-16(22-9-19-8-20(21-13-34-37(3)15-21)12-31-24(19)10-23(22)29)38-17(2)35-26-27(38)36-25(14-33-26)32-11-18-6-5-7-30-28(18)39-4/h5-10,12-16H,11H2,1-4H3,(H,32,36)/t16-/m0/s1
InChIKeyJAGGORYKMYRTNS-INIZCTEOSA-N
XLogP4.85
TPSA108.46 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.58
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-[(1S)-1-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylimidazo[4,5-b]pyrazin-5-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

7-fluoro-6-(1-imidazo[4,5-b]pyrazin-3-ylethyl)-3-(1-methylpyrazol-4-yl)quinoline
CID 141370356
7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 141370339
7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(1-methylpyrazol-4-yl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline
CID 141456392
4-N-[(2-methoxy-3-pyridinyl)methyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 175733738
7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]propyl]quinoline
CID 155549474
7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(4-methylsulfanylphenyl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline
CID 141456409
7-fluoro-6-[1-(6-isoquinolin-4-yl-2H-triazolo[4,5-b]pyrazin-5-yl)ethyl]-3-(1-methylpyrazol-4-yl)quinoline
CID 141456395
N-[(7-fluoroquinolin-6-yl)methyl]-3-hydrazinyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine
CID 155149959
6-methoxy-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 104696689
2-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylaniline
CID 114254628
N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-2-pyridin-4-ylacetamide
CID 138590612
N-[(4-fluorophenyl)methyl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine
CID 122184265

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylimidazo[4,5-b]pyrazin-5-amine?
The IUPAC name of 3-[(1S)-1-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylimidazo[4,5-b]pyrazin-5-amine (CID 162691313) is 3-[(1S)-1-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylimidazo[4,5-b]pyrazin-5-amine.
What is the SMILES notation for 3-[(1S)-1-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylimidazo[4,5-b]pyrazin-5-amine?
The canonical SMILES for 3-[(1S)-1-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylimidazo[4,5-b]pyrazin-5-amine is COc1ncccc1CNc1cnc2nc(C)n([C@@H](C)c3cc4cc(-c5cnn(C)c5)cnc4cc3F)c2n1.
What is the InChIKey of 3-[(1S)-1-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylimidazo[4,5-b]pyrazin-5-amine?
The InChIKey is JAGGORYKMYRTNS-INIZCTEOSA-N. The full InChI is InChI=1S/C28H26FN9O/c1-16(22-9-19-8-20(21-13-34-37(3)15-21)12-31-24(19)10-23(22)29)38-17(2)35-26-27(38)36-25(14-33-26)32-11-18-6-5-7-30-28(18)39-4/h5-10,12-16H,11H2,1-4H3,(H,32,36)/t16-/m0/s1.
What are the key properties of 3-[(1S)-1-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylimidazo[4,5-b]pyrazin-5-amine?
3-[(1S)-1-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylimidazo[4,5-b]pyrazin-5-amine has a molecular weight of 523.58 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylimidazo[4,5-b]pyrazin-5-amine is sourced from PubChem (CID 162691313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).