5-[5-(aminomethyl)-2-methylthiophen-3-yl]-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

C23H29N9S — CID 163723480

IUPAC5-[5-(aminomethyl)-2-methylthiophen-3-yl]-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESCc1sc(CN)cc1-c1cnc(Nc2ccc(N3CCN(C(C)C)CC3)nc2)c2ncnn12
InChIInChI=1S/C23H29N9S/c1-15(2)30-6-8-31(9-7-30)21-5-4-17(12-25-21)29-22-23-27-14-28-32(23)20(13-26-22)19-10-18(11-24)33-16(19)3/h4-5,10,12-15H,6-9,11,24H2,1-3H3,(H,26,29)
InChIKeyKTPNBKIXVKYOST-UHFFFAOYSA-N
MW463.62 g/mol
LogP3.29
Rot. Bonds6

About 5-[5-(aminomethyl)-2-methylthiophen-3-yl]-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

5-[5-(aminomethyl)-2-methylthiophen-3-yl]-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (PubChem CID 163723480) has the molecular formula C23H29N9S and a molecular weight of 463.62 g/mol. Its IUPAC name is 5-[5-(aminomethyl)-2-methylthiophen-3-yl]-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name5-[5-(aminomethyl)-2-methylthiophen-3-yl]-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
PubChem CID163723480
Molecular FormulaC23H29N9S
Molecular Weight463.62 g/mol
Exact Mass463.23
IUPAC Name5-[5-(aminomethyl)-2-methylthiophen-3-yl]-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESCc1sc(CN)cc1-c1cnc(Nc2ccc(N3CCN(C(C)C)CC3)nc2)c2ncnn12
InChIInChI=1S/C23H29N9S/c1-15(2)30-6-8-31(9-7-30)21-5-4-17(12-25-21)29-22-23-27-14-28-32(23)20(13-26-22)19-10-18(11-24)33-16(19)3/h4-5,10,12-15H,6-9,11,24H2,1-3H3,(H,26,29)
InChIKeyKTPNBKIXVKYOST-UHFFFAOYSA-N
XLogP3.29
TPSA100.50 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.62
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[5-(aminomethyl)-2-methylthiophen-3-yl]-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine with MolForge

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Related Compounds

4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-1,3-thiazole-2-carboxylic acid
CID 91038615
N-(6-morpholin-4-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
CID 135979637
4-[8-[(6-piperazin-1-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]benzamide
CID 143585647
N-[6-(1-propan-2-ylpiperidin-4-yl)-3-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
CID 135979645
ethyl N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]carbamate
CID 11500270
5-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-2H-isoindol-1-ol
CID 136655331
1-[5-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophen-2-yl]ethanone
CID 24888258
5-(2-ethoxy-4-pyridinyl)-N-[4-(3-methyl-4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
CID 70952876
2-methylpropyl N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]carbamate
CID 11537062
[5-[8-[4-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophen-2-yl] carbamate
CID 68792133
1-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-one
CID 102546833
2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-methylpropanamide
CID 107355767

Frequently Asked Questions

What is the IUPAC name of 5-[5-(aminomethyl)-2-methylthiophen-3-yl]-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The IUPAC name of 5-[5-(aminomethyl)-2-methylthiophen-3-yl]-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (CID 163723480) is 5-[5-(aminomethyl)-2-methylthiophen-3-yl]-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 5-[5-(aminomethyl)-2-methylthiophen-3-yl]-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 5-[5-(aminomethyl)-2-methylthiophen-3-yl]-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is Cc1sc(CN)cc1-c1cnc(Nc2ccc(N3CCN(C(C)C)CC3)nc2)c2ncnn12.
What is the InChIKey of 5-[5-(aminomethyl)-2-methylthiophen-3-yl]-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The InChIKey is KTPNBKIXVKYOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N9S/c1-15(2)30-6-8-31(9-7-30)21-5-4-17(12-25-21)29-22-23-27-14-28-32(23)20(13-26-22)19-10-18(11-24)33-16(19)3/h4-5,10,12-15H,6-9,11,24H2,1-3H3,(H,26,29).
What are the key properties of 5-[5-(aminomethyl)-2-methylthiophen-3-yl]-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
5-[5-(aminomethyl)-2-methylthiophen-3-yl]-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine has a molecular weight of 463.62 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(aminomethyl)-2-methylthiophen-3-yl]-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 163723480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).