7-(3-fluoro-4-methoxyphenyl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine;sulfane

C19H22FN5O2S — CID 157227299

IUPAC7-(3-fluoro-4-methoxyphenyl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine;sulfane
SMILESCOc1ccc(-c2cc3nccnc3c(NC[C@@H]3CNCCO3)n2)cc1F.S
InChIInChI=1S/C19H20FN5O2.H2S/c1-26-17-3-2-12(8-14(17)20)15-9-16-18(23-5-4-22-16)19(25-15)24-11-13-10-21-6-7-27-13;/h2-5,8-9,13,21H,6-7,10-11H2,1H3,(H,24,25);1H2/t13-;/m0./s1
InChIKeyATRMYEMAJQGPHF-ZOWNYOTGSA-N
MW403.48 g/mol
LogP2.35
Rot. Bonds5

About 7-(3-fluoro-4-methoxyphenyl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine;sulfane

7-(3-fluoro-4-methoxyphenyl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine;sulfane (PubChem CID 157227299) has the molecular formula C19H22FN5O2S and a molecular weight of 403.48 g/mol. Its IUPAC name is 7-(3-fluoro-4-methoxyphenyl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine;sulfane.

Molecular Properties

Compound Name7-(3-fluoro-4-methoxyphenyl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine;sulfane
PubChem CID157227299
Molecular FormulaC19H22FN5O2S
Molecular Weight403.48 g/mol
Exact Mass403.15
IUPAC Name7-(3-fluoro-4-methoxyphenyl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine;sulfane
SMILESCOc1ccc(-c2cc3nccnc3c(NC[C@@H]3CNCCO3)n2)cc1F.S
InChIInChI=1S/C19H20FN5O2.H2S/c1-26-17-3-2-12(8-14(17)20)15-9-16-18(23-5-4-22-16)19(25-15)24-11-13-10-21-6-7-27-13;/h2-5,8-9,13,21H,6-7,10-11H2,1H3,(H,24,25);1H2/t13-;/m0./s1
InChIKeyATRMYEMAJQGPHF-ZOWNYOTGSA-N
XLogP2.35
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-(3-fluoro-4-methoxyphenyl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine;sulfane with MolForge

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Related Compounds

Inixaciclib
CID 139390026
7-(6-Methoxypyridin-3-yl)-1-(2-propoxyethyl)-3-(pyrazin-2-ylmethylamino)pyrido[3,4-b]pyrazin-2-one
CID 45486504
4-N-(3-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328263
3-(3,5-dimethoxyphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]-1,6-naphthyridine-2,7-diamine
CID 5330125
Pyridazino(4,3-c)isoquinoline, 3-(4-methoxyphenyl)-6-(4-morpholinyl)-
CID 13526635
N(2)-[3-methoxy-4-(morpholin-4-yl)phenyl]-N(4)-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 10202829
6-(6-methoxypyridin-3-yl)-2-[(2-morpholin-4-ylethyl)amino]-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4H)-one
CID 42628078
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-methoxyphenyl)pyridin-2-amine
CID 44521019
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(3-methoxyphenyl)pyridin-2-amine
CID 44521021
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-methoxyphenyl)pyridin-2-amine
CID 44521023
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-fluorophenyl)pyridin-2-amine
CID 44521026
6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 10256734

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluoro-4-methoxyphenyl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine;sulfane?
The IUPAC name of 7-(3-fluoro-4-methoxyphenyl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine;sulfane (CID 157227299) is 7-(3-fluoro-4-methoxyphenyl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine;sulfane.
What is the SMILES notation for 7-(3-fluoro-4-methoxyphenyl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine;sulfane?
The canonical SMILES for 7-(3-fluoro-4-methoxyphenyl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine;sulfane is COc1ccc(-c2cc3nccnc3c(NC[C@@H]3CNCCO3)n2)cc1F.S.
What is the InChIKey of 7-(3-fluoro-4-methoxyphenyl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine;sulfane?
The InChIKey is ATRMYEMAJQGPHF-ZOWNYOTGSA-N. The full InChI is InChI=1S/C19H20FN5O2.H2S/c1-26-17-3-2-12(8-14(17)20)15-9-16-18(23-5-4-22-16)19(25-15)24-11-13-10-21-6-7-27-13;/h2-5,8-9,13,21H,6-7,10-11H2,1H3,(H,24,25);1H2/t13-;/m0./s1.
What are the key properties of 7-(3-fluoro-4-methoxyphenyl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine;sulfane?
7-(3-fluoro-4-methoxyphenyl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine;sulfane has a molecular weight of 403.48 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluoro-4-methoxyphenyl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine;sulfane is sourced from PubChem (CID 157227299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).