8-amino-6-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol;6-phenylmethoxy-3-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride

C47H59ClN8O2 — CID 67638576

IUPAC8-amino-6-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol;6-phenylmethoxy-3-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride
SMILESCC(C)n1cc(CCC2Cc3c([nH]c4ccc(O)cc34)C(N)C2)cn1.CC(C)n1cc(CCC2Cc3c([nH]c4ccc(OCc5ccccc5)cc34)C(N)C2)cn1.Cl
InChIInChI=1S/C27H32N4O.C20H26N4O.ClH/c1-18(2)31-16-21(15-29-31)9-8-20-12-24-23-14-22(32-17-19-6-4-3-5-7-19)10-11-26(23)30-27(24)25(28)13-20;1-12(2)24-11-14(10-22-24)4-3-13-7-17-16-9-15(25)5-6-19(16)23-20(17)18(21)8-13;/h3-7,10-11,14-16,18,20,25,30H,8-9,12-13,17,28H2,1-2H3;5-6,9-13,18,23,25H,3-4,7-8,21H2,1-2H3;1H
InChIKeyWTMAOTYLWNTPBA-UHFFFAOYSA-N
MW803.50 g/mol
LogP9.99
Rot. Bonds11

About 8-amino-6-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol;6-phenylmethoxy-3-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride

8-amino-6-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol;6-phenylmethoxy-3-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride (PubChem CID 67638576) has the molecular formula C47H59ClN8O2 and a molecular weight of 803.50 g/mol. Its IUPAC name is 8-amino-6-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol;6-phenylmethoxy-3-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride.

Molecular Properties

Compound Name8-amino-6-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol;6-phenylmethoxy-3-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride
PubChem CID67638576
Molecular FormulaC47H59ClN8O2
Molecular Weight803.50 g/mol
Exact Mass802.44
IUPAC Name8-amino-6-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol;6-phenylmethoxy-3-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride
SMILESCC(C)n1cc(CCC2Cc3c([nH]c4ccc(O)cc34)C(N)C2)cn1.CC(C)n1cc(CCC2Cc3c([nH]c4ccc(OCc5ccccc5)cc34)C(N)C2)cn1.Cl
InChIInChI=1S/C27H32N4O.C20H26N4O.ClH/c1-18(2)31-16-21(15-29-31)9-8-20-12-24-23-14-22(32-17-19-6-4-3-5-7-19)10-11-26(23)30-27(24)25(28)13-20;1-12(2)24-11-14(10-22-24)4-3-13-7-17-16-9-15(25)5-6-19(16)23-20(17)18(21)8-13;/h3-7,10-11,14-16,18,20,25,30H,8-9,12-13,17,28H2,1-2H3;5-6,9-13,18,23,25H,3-4,7-8,21H2,1-2H3;1H
InChIKeyWTMAOTYLWNTPBA-UHFFFAOYSA-N
XLogP9.99
TPSA148.72 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.50
LogP ≤ 59.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 8-amino-6-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol;6-phenylmethoxy-3-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-amino-6-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol;6-phenylmethoxy-3-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride?
The IUPAC name of 8-amino-6-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol;6-phenylmethoxy-3-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride (CID 67638576) is 8-amino-6-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol;6-phenylmethoxy-3-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride.
What is the SMILES notation for 8-amino-6-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol;6-phenylmethoxy-3-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride?
The canonical SMILES for 8-amino-6-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol;6-phenylmethoxy-3-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride is CC(C)n1cc(CCC2Cc3c([nH]c4ccc(O)cc34)C(N)C2)cn1.CC(C)n1cc(CCC2Cc3c([nH]c4ccc(OCc5ccccc5)cc34)C(N)C2)cn1.Cl.
What is the InChIKey of 8-amino-6-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol;6-phenylmethoxy-3-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride?
The InChIKey is WTMAOTYLWNTPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O.C20H26N4O.ClH/c1-18(2)31-16-21(15-29-31)9-8-20-12-24-23-14-22(32-17-19-6-4-3-5-7-19)10-11-26(23)30-27(24)25(28)13-20;1-12(2)24-11-14(10-22-24)4-3-13-7-17-16-9-15(25)5-6-19(16)23-20(17)18(21)8-13;/h3-7,10-11,14-16,18,20,25,30H,8-9,12-13,17,28H2,1-2H3;5-6,9-13,18,23,25H,3-4,7-8,21H2,1-2H3;1H.
What are the key properties of 8-amino-6-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol;6-phenylmethoxy-3-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride?
8-amino-6-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol;6-phenylmethoxy-3-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride has a molecular weight of 803.50 g/mol, XLogP of 9.99, 11 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol;6-phenylmethoxy-3-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride is sourced from PubChem (CID 67638576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).