3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine

C18H21Cl2N7 — CID 157260263

IUPAC3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine
SMILESCC1(CN)CCN(c2cnc3c(n2)CN=C3Nc2ccnc(Cl)c2Cl)CC1
InChIInChI=1S/C18H21Cl2N7/c1-18(10-21)3-6-27(7-4-18)13-9-23-15-12(25-13)8-24-17(15)26-11-2-5-22-16(20)14(11)19/h2,5,9H,3-4,6-8,10,21H2,1H3,(H,22,24,26)
InChIKeyONSHADUSXWNTBZ-UHFFFAOYSA-N
MW406.32 g/mol
LogP3.12
Rot. Bonds3

About 3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine

3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine (PubChem CID 157260263) has the molecular formula C18H21Cl2N7 and a molecular weight of 406.32 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine.

Molecular Properties

Compound Name3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine
PubChem CID157260263
Molecular FormulaC18H21Cl2N7
Molecular Weight406.32 g/mol
Exact Mass405.12
IUPAC Name3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine
SMILESCC1(CN)CCN(c2cnc3c(n2)CN=C3Nc2ccnc(Cl)c2Cl)CC1
InChIInChI=1S/C18H21Cl2N7/c1-18(10-21)3-6-27(7-4-18)13-9-23-15-12(25-13)8-24-17(15)26-11-2-5-22-16(20)14(11)19/h2,5,9H,3-4,6-8,10,21H2,1H3,(H,22,24,26)
InChIKeyONSHADUSXWNTBZ-UHFFFAOYSA-N
XLogP3.12
TPSA92.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine with MolForge

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Related Compounds

4-N-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloropyridine-2,4-diamine;dihydrochloride
CID 142484329
(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
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
[4-amino-1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanol;4-(aminomethyl)-1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-ol;1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;[1-[7-(5-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-yl]methanamine;(4S)-8-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 161484010
3-[amino-[(2-amino-3-chloro-4-pyridinyl)oxy]methyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine
CID 142337795
[1-(3-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]methanamine
CID 107160290
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
4-methyl-1-[7-(pyridin-3-ylmethoxy)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-amine
CID 153102974
4-[[6-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxy]-3-chloropyridin-2-amine
CID 134474008
(3-chloro-2-methyl-4-pyridinyl) 3-amino-5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carboximidate
CID 146642179
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
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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine?
The IUPAC name of 3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine (CID 157260263) is 3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine.
What is the SMILES notation for 3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine?
The canonical SMILES for 3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine is CC1(CN)CCN(c2cnc3c(n2)CN=C3Nc2ccnc(Cl)c2Cl)CC1.
What is the InChIKey of 3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine?
The InChIKey is ONSHADUSXWNTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N7/c1-18(10-21)3-6-27(7-4-18)13-9-23-15-12(25-13)8-24-17(15)26-11-2-5-22-16(20)14(11)19/h2,5,9H,3-4,6-8,10,21H2,1H3,(H,22,24,26).
What are the key properties of 3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine?
3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine has a molecular weight of 406.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine is sourced from PubChem (CID 157260263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).