2-(1,4-dihydropyrrolo[3,2-c]pyrazol-3-yl)-6-propoxy-1H-indole;4-(ethylamino)butan-1-ol

C22H31N5O2 — CID 143017723

IUPAC2-(1,4-dihydropyrrolo[3,2-c]pyrazol-3-yl)-6-propoxy-1H-indole;4-(ethylamino)butan-1-ol
SMILESCCCOc1ccc2cc(-c3n[nH]c4cc[nH]c34)[nH]c2c1.CCNCCCCO
InChIInChI=1S/C16H16N4O.C6H15NO/c1-2-7-21-11-4-3-10-8-14(18-13(10)9-11)16-15-12(19-20-16)5-6-17-15;1-2-7-5-3-4-6-8/h3-6,8-9,17-18H,2,7H2,1H3,(H,19,20);7-8H,2-6H2,1H3
InChIKeyWOGIZOFCRSBZRM-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.20
Rot. Bonds9

About 2-(1,4-dihydropyrrolo[3,2-c]pyrazol-3-yl)-6-propoxy-1H-indole;4-(ethylamino)butan-1-ol

2-(1,4-dihydropyrrolo[3,2-c]pyrazol-3-yl)-6-propoxy-1H-indole;4-(ethylamino)butan-1-ol (PubChem CID 143017723) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-(1,4-dihydropyrrolo[3,2-c]pyrazol-3-yl)-6-propoxy-1H-indole;4-(ethylamino)butan-1-ol.

Molecular Properties

Compound Name2-(1,4-dihydropyrrolo[3,2-c]pyrazol-3-yl)-6-propoxy-1H-indole;4-(ethylamino)butan-1-ol
PubChem CID143017723
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name2-(1,4-dihydropyrrolo[3,2-c]pyrazol-3-yl)-6-propoxy-1H-indole;4-(ethylamino)butan-1-ol
SMILESCCCOc1ccc2cc(-c3n[nH]c4cc[nH]c34)[nH]c2c1.CCNCCCCO
InChIInChI=1S/C16H16N4O.C6H15NO/c1-2-7-21-11-4-3-10-8-14(18-13(10)9-11)16-15-12(19-20-16)5-6-17-15;1-2-7-5-3-4-6-8/h3-6,8-9,17-18H,2,7H2,1H3,(H,19,20);7-8H,2-6H2,1H3
InChIKeyWOGIZOFCRSBZRM-UHFFFAOYSA-N
XLogP4.20
TPSA101.75 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dihydropyrrolo[3,2-c]pyrazol-3-yl)-6-propoxy-1H-indole;4-(ethylamino)butan-1-ol?
The IUPAC name of 2-(1,4-dihydropyrrolo[3,2-c]pyrazol-3-yl)-6-propoxy-1H-indole;4-(ethylamino)butan-1-ol (CID 143017723) is 2-(1,4-dihydropyrrolo[3,2-c]pyrazol-3-yl)-6-propoxy-1H-indole;4-(ethylamino)butan-1-ol.
What is the SMILES notation for 2-(1,4-dihydropyrrolo[3,2-c]pyrazol-3-yl)-6-propoxy-1H-indole;4-(ethylamino)butan-1-ol?
The canonical SMILES for 2-(1,4-dihydropyrrolo[3,2-c]pyrazol-3-yl)-6-propoxy-1H-indole;4-(ethylamino)butan-1-ol is CCCOc1ccc2cc(-c3n[nH]c4cc[nH]c34)[nH]c2c1.CCNCCCCO.
What is the InChIKey of 2-(1,4-dihydropyrrolo[3,2-c]pyrazol-3-yl)-6-propoxy-1H-indole;4-(ethylamino)butan-1-ol?
The InChIKey is WOGIZOFCRSBZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O.C6H15NO/c1-2-7-21-11-4-3-10-8-14(18-13(10)9-11)16-15-12(19-20-16)5-6-17-15;1-2-7-5-3-4-6-8/h3-6,8-9,17-18H,2,7H2,1H3,(H,19,20);7-8H,2-6H2,1H3.
What are the key properties of 2-(1,4-dihydropyrrolo[3,2-c]pyrazol-3-yl)-6-propoxy-1H-indole;4-(ethylamino)butan-1-ol?
2-(1,4-dihydropyrrolo[3,2-c]pyrazol-3-yl)-6-propoxy-1H-indole;4-(ethylamino)butan-1-ol has a molecular weight of 397.52 g/mol, XLogP of 4.20, 9 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dihydropyrrolo[3,2-c]pyrazol-3-yl)-6-propoxy-1H-indole;4-(ethylamino)butan-1-ol is sourced from PubChem (CID 143017723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).