2-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-5H-furo[2,3-c]pyrrol-4-ol

C21H19N7O3 — CID 136651861

IUPAC2-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-5H-furo[2,3-c]pyrrol-4-ol
SMILESOc1[nH]cc2oc(-c3cnc(Nc4ccc(N5CCOCC5)cc4)c4ncnn34)cc12
InChIInChI=1S/C21H19N7O3/c29-21-15-9-17(31-18(15)11-23-21)16-10-22-19(20-24-12-25-28(16)20)26-13-1-3-14(4-2-13)27-5-7-30-8-6-27/h1-4,9-12,23,29H,5-8H2,(H,22,26)
InChIKeyNWWJDWFNFHXOJS-UHFFFAOYSA-N
MW417.43 g/mol
LogP3.15
Rot. Bonds4

About 2-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-5H-furo[2,3-c]pyrrol-4-ol

2-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-5H-furo[2,3-c]pyrrol-4-ol (PubChem CID 136651861) has the molecular formula C21H19N7O3 and a molecular weight of 417.43 g/mol. Its IUPAC name is 2-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-5H-furo[2,3-c]pyrrol-4-ol.

Molecular Properties

Compound Name2-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-5H-furo[2,3-c]pyrrol-4-ol
PubChem CID136651861
Molecular FormulaC21H19N7O3
Molecular Weight417.43 g/mol
Exact Mass417.15
IUPAC Name2-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-5H-furo[2,3-c]pyrrol-4-ol
SMILESOc1[nH]cc2oc(-c3cnc(Nc4ccc(N5CCOCC5)cc4)c4ncnn34)cc12
InChIInChI=1S/C21H19N7O3/c29-21-15-9-17(31-18(15)11-23-21)16-10-22-19(20-24-12-25-28(16)20)26-13-1-3-14(4-2-13)27-5-7-30-8-6-27/h1-4,9-12,23,29H,5-8H2,(H,22,26)
InChIKeyNWWJDWFNFHXOJS-UHFFFAOYSA-N
XLogP3.15
TPSA116.74 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-5H-furo[2,3-c]pyrrol-4-ol 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

1-[5-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophen-2-yl]ethanone
CID 24888258
3-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-1-benzothiophene-7-carboxylic acid
CID 90807881
N-(6-morpholin-4-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
CID 135979637
3-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-1-benzothiophene-7-carboxamide
CID 24890644
N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
CID 135900400
N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 135948865
[5-[8-[4-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophen-2-yl] carbamate
CID 68792133
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
5-[8-(4-piperazin-1-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one
CID 143585612
N-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 993401
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
5-[8-(4-piperazin-4-id-1-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one;prop-1-ene;rubidium(1+)
CID 143585611

Frequently Asked Questions

What is the IUPAC name of 2-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-5H-furo[2,3-c]pyrrol-4-ol?
The IUPAC name of 2-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-5H-furo[2,3-c]pyrrol-4-ol (CID 136651861) is 2-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-5H-furo[2,3-c]pyrrol-4-ol.
What is the SMILES notation for 2-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-5H-furo[2,3-c]pyrrol-4-ol?
The canonical SMILES for 2-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-5H-furo[2,3-c]pyrrol-4-ol is Oc1[nH]cc2oc(-c3cnc(Nc4ccc(N5CCOCC5)cc4)c4ncnn34)cc12.
What is the InChIKey of 2-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-5H-furo[2,3-c]pyrrol-4-ol?
The InChIKey is NWWJDWFNFHXOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O3/c29-21-15-9-17(31-18(15)11-23-21)16-10-22-19(20-24-12-25-28(16)20)26-13-1-3-14(4-2-13)27-5-7-30-8-6-27/h1-4,9-12,23,29H,5-8H2,(H,22,26).
What are the key properties of 2-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-5H-furo[2,3-c]pyrrol-4-ol?
2-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-5H-furo[2,3-c]pyrrol-4-ol has a molecular weight of 417.43 g/mol, XLogP of 3.15, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-5H-furo[2,3-c]pyrrol-4-ol is sourced from PubChem (CID 136651861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).