4-[3-methyl-4-[2-(7-propan-2-yl-1H-indol-3-yl)ethylamino]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol

C28H32N4O — CID 130217863

IUPAC4-[3-methyl-4-[2-(7-propan-2-yl-1H-indol-3-yl)ethylamino]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
SMILESCc1cc(Nc2ccnc3c2CCC3O)ccc1NCCc1c[nH]c2c(C(C)C)cccc12
InChIInChI=1S/C28H32N4O/c1-17(2)21-5-4-6-22-19(16-31-27(21)22)11-13-29-24-9-7-20(15-18(24)3)32-25-12-14-30-28-23(25)8-10-26(28)33/h4-7,9,12,14-17,26,29,31,33H,8,10-11,13H2,1-3H3,(H,30,32)
InChIKeyFHAPAMOTOOOGLF-UHFFFAOYSA-N
MW440.59 g/mol
LogP6.37
Rot. Bonds7

About 4-[3-methyl-4-[2-(7-propan-2-yl-1H-indol-3-yl)ethylamino]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol

4-[3-methyl-4-[2-(7-propan-2-yl-1H-indol-3-yl)ethylamino]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol (PubChem CID 130217863) has the molecular formula C28H32N4O and a molecular weight of 440.59 g/mol. Its IUPAC name is 4-[3-methyl-4-[2-(7-propan-2-yl-1H-indol-3-yl)ethylamino]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol.

Molecular Properties

Compound Name4-[3-methyl-4-[2-(7-propan-2-yl-1H-indol-3-yl)ethylamino]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
PubChem CID130217863
Molecular FormulaC28H32N4O
Molecular Weight440.59 g/mol
Exact Mass440.26
IUPAC Name4-[3-methyl-4-[2-(7-propan-2-yl-1H-indol-3-yl)ethylamino]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
SMILESCc1cc(Nc2ccnc3c2CCC3O)ccc1NCCc1c[nH]c2c(C(C)C)cccc12
InChIInChI=1S/C28H32N4O/c1-17(2)21-5-4-6-22-19(16-31-27(21)22)11-13-29-24-9-7-20(15-18(24)3)32-25-12-14-30-28-23(25)8-10-26(28)33/h4-7,9,12,14-17,26,29,31,33H,8,10-11,13H2,1-3H3,(H,30,32)
InChIKeyFHAPAMOTOOOGLF-UHFFFAOYSA-N
XLogP6.37
TPSA72.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 56.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-4-[2-(7-propan-2-yl-1H-indol-3-yl)ethylamino]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol?
The IUPAC name of 4-[3-methyl-4-[2-(7-propan-2-yl-1H-indol-3-yl)ethylamino]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol (CID 130217863) is 4-[3-methyl-4-[2-(7-propan-2-yl-1H-indol-3-yl)ethylamino]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol.
What is the SMILES notation for 4-[3-methyl-4-[2-(7-propan-2-yl-1H-indol-3-yl)ethylamino]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol?
The canonical SMILES for 4-[3-methyl-4-[2-(7-propan-2-yl-1H-indol-3-yl)ethylamino]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol is Cc1cc(Nc2ccnc3c2CCC3O)ccc1NCCc1c[nH]c2c(C(C)C)cccc12.
What is the InChIKey of 4-[3-methyl-4-[2-(7-propan-2-yl-1H-indol-3-yl)ethylamino]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol?
The InChIKey is FHAPAMOTOOOGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O/c1-17(2)21-5-4-6-22-19(16-31-27(21)22)11-13-29-24-9-7-20(15-18(24)3)32-25-12-14-30-28-23(25)8-10-26(28)33/h4-7,9,12,14-17,26,29,31,33H,8,10-11,13H2,1-3H3,(H,30,32).
What are the key properties of 4-[3-methyl-4-[2-(7-propan-2-yl-1H-indol-3-yl)ethylamino]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol?
4-[3-methyl-4-[2-(7-propan-2-yl-1H-indol-3-yl)ethylamino]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol has a molecular weight of 440.59 g/mol, XLogP of 6.37, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-4-[2-(7-propan-2-yl-1H-indol-3-yl)ethylamino]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol is sourced from PubChem (CID 130217863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).