[4-(9-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-7-yl)methanone

C28H25N3O2 — CID 168957958

IUPAC[4-(9-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-7-yl)methanone
SMILESO=C(c1cncc2cc[nH]c12)N1CCC(=C2c3ccccc3CC(O)c3ccccc32)CC1
InChIInChI=1S/C28H25N3O2/c32-25-15-19-5-1-2-6-21(19)26(23-8-4-3-7-22(23)25)18-10-13-31(14-11-18)28(33)24-17-29-16-20-9-12-30-27(20)24/h1-9,12,16-17,25,30,32H,10-11,13-15H2
InChIKeyGOGOOBIKTUBBMN-UHFFFAOYSA-N
MW435.53 g/mol
LogP4.89
Rot. Bonds1

About [4-(9-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-7-yl)methanone

[4-(9-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-7-yl)methanone (PubChem CID 168957958) has the molecular formula C28H25N3O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is [4-(9-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-7-yl)methanone.

Molecular Properties

Compound Name[4-(9-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-7-yl)methanone
PubChem CID168957958
Molecular FormulaC28H25N3O2
Molecular Weight435.53 g/mol
Exact Mass435.19
IUPAC Name[4-(9-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-7-yl)methanone
SMILESO=C(c1cncc2cc[nH]c12)N1CCC(=C2c3ccccc3CC(O)c3ccccc32)CC1
InChIInChI=1S/C28H25N3O2/c32-25-15-19-5-1-2-6-21(19)26(23-8-4-3-7-22(23)25)18-10-13-31(14-11-18)28(33)24-17-29-16-20-9-12-30-27(20)24/h1-9,12,16-17,25,30,32H,10-11,13-15H2
InChIKeyGOGOOBIKTUBBMN-UHFFFAOYSA-N
XLogP4.89
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_A(13)', 'substructure': 'N/A'}

Analyze [4-(9-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-7-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(9-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-7-yl)methanone?
The IUPAC name of [4-(9-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-7-yl)methanone (CID 168957958) is [4-(9-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-7-yl)methanone.
What is the SMILES notation for [4-(9-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-7-yl)methanone?
The canonical SMILES for [4-(9-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-7-yl)methanone is O=C(c1cncc2cc[nH]c12)N1CCC(=C2c3ccccc3CC(O)c3ccccc32)CC1.
What is the InChIKey of [4-(9-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-7-yl)methanone?
The InChIKey is GOGOOBIKTUBBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O2/c32-25-15-19-5-1-2-6-21(19)26(23-8-4-3-7-22(23)25)18-10-13-31(14-11-18)28(33)24-17-29-16-20-9-12-30-27(20)24/h1-9,12,16-17,25,30,32H,10-11,13-15H2.
What are the key properties of [4-(9-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-7-yl)methanone?
[4-(9-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-7-yl)methanone has a molecular weight of 435.53 g/mol, XLogP of 4.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(9-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-7-yl)methanone is sourced from PubChem (CID 168957958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).