1-[7-[[3-chloro-2-(1,3-thiazol-2-yl)-4-pyridinyl]oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine

C20H20ClN7OS — CID 158062876

IUPAC1-[7-[[3-chloro-2-(1,3-thiazol-2-yl)-4-pyridinyl]oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine
SMILESCC1(N)CCN(c2cnc3c(n2)CN=C3Oc2ccnc(-c3nccs3)c2Cl)CC1
InChIInChI=1S/C20H20ClN7OS/c1-20(22)3-7-28(8-4-20)14-11-25-16-12(27-14)10-26-18(16)29-13-2-5-23-17(15(13)21)19-24-6-9-30-19/h2,5-6,9,11H,3-4,7-8,10,22H2,1H3
InChIKeyFKWAZMNKIMTPAU-UHFFFAOYSA-N
MW441.95 g/mol
LogP3.31
Rot. Bonds3

About 1-[7-[[3-chloro-2-(1,3-thiazol-2-yl)-4-pyridinyl]oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine

1-[7-[[3-chloro-2-(1,3-thiazol-2-yl)-4-pyridinyl]oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine (PubChem CID 158062876) has the molecular formula C20H20ClN7OS and a molecular weight of 441.95 g/mol. Its IUPAC name is 1-[7-[[3-chloro-2-(1,3-thiazol-2-yl)-4-pyridinyl]oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[7-[[3-chloro-2-(1,3-thiazol-2-yl)-4-pyridinyl]oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine
PubChem CID158062876
Molecular FormulaC20H20ClN7OS
Molecular Weight441.95 g/mol
Exact Mass441.11
IUPAC Name1-[7-[[3-chloro-2-(1,3-thiazol-2-yl)-4-pyridinyl]oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine
SMILESCC1(N)CCN(c2cnc3c(n2)CN=C3Oc2ccnc(-c3nccs3)c2Cl)CC1
InChIInChI=1S/C20H20ClN7OS/c1-20(22)3-7-28(8-4-20)14-11-25-16-12(27-14)10-26-18(16)29-13-2-5-23-17(15(13)21)19-24-6-9-30-19/h2,5-6,9,11H,3-4,7-8,10,22H2,1H3
InChIKeyFKWAZMNKIMTPAU-UHFFFAOYSA-N
XLogP3.31
TPSA102.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.95
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[7-[[3-chloro-2-(1,3-thiazol-2-yl)-4-pyridinyl]oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

4-methyl-1-[7-(pyridin-3-ylmethoxy)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-amine
CID 153102974
4-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]sulfanyl]-3-chloro-1-methylpyridin-2-one
CID 159895367
4-(aminomethyl)-1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-ol;4-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]oxy]-3-chloropyridine-2-carboxamide;1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;(2S,4R)-1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-methylpiperidin-4-amine;[1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-yl]methanamine;methane
CID 161041724
1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine
CID 159724926
4-methyl-1-[7-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-amine
CID 158932131
3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine
CID 157260263
(3S,4S)-8-[7-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 158418048
but-2-enedioic acid;1-(2-chloropyrimidin-4-yl)-4-methylpiperidin-4-amine
CID 173318770
1-[3-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]sulfanyl]piperidin-1-yl]ethanone
CID 160932482
4-methyl-1-[3-[(2-methyl-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine
CID 134473834
1-[3-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;1-[3-(2,3-dichlorophenyl)sulfanyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;1-[7-(2,3-dichlorophenyl)sulfanyl-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine
CID 158142766
2-[[4-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3-chloro-2-pyridinyl]amino]ethanol
CID 146554058

Frequently Asked Questions

What is the IUPAC name of 1-[7-[[3-chloro-2-(1,3-thiazol-2-yl)-4-pyridinyl]oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine?
The IUPAC name of 1-[7-[[3-chloro-2-(1,3-thiazol-2-yl)-4-pyridinyl]oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine (CID 158062876) is 1-[7-[[3-chloro-2-(1,3-thiazol-2-yl)-4-pyridinyl]oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine.
What is the SMILES notation for 1-[7-[[3-chloro-2-(1,3-thiazol-2-yl)-4-pyridinyl]oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine?
The canonical SMILES for 1-[7-[[3-chloro-2-(1,3-thiazol-2-yl)-4-pyridinyl]oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine is CC1(N)CCN(c2cnc3c(n2)CN=C3Oc2ccnc(-c3nccs3)c2Cl)CC1.
What is the InChIKey of 1-[7-[[3-chloro-2-(1,3-thiazol-2-yl)-4-pyridinyl]oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine?
The InChIKey is FKWAZMNKIMTPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN7OS/c1-20(22)3-7-28(8-4-20)14-11-25-16-12(27-14)10-26-18(16)29-13-2-5-23-17(15(13)21)19-24-6-9-30-19/h2,5-6,9,11H,3-4,7-8,10,22H2,1H3.
What are the key properties of 1-[7-[[3-chloro-2-(1,3-thiazol-2-yl)-4-pyridinyl]oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine?
1-[7-[[3-chloro-2-(1,3-thiazol-2-yl)-4-pyridinyl]oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine has a molecular weight of 441.95 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[[3-chloro-2-(1,3-thiazol-2-yl)-4-pyridinyl]oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine is sourced from PubChem (CID 158062876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).