14-[3-(2,6-difluoro-3-pyridinyl)phenyl]-3-oxa-14,16,23-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4,6,8,11,15,17,19,21-decaene

C30H16F2N4O — CID 134169367

IUPAC14-[3-(2,6-difluoro-3-pyridinyl)phenyl]-3-oxa-14,16,23-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4,6,8,11,15,17,19,21-decaene
SMILESFc1ccc(-c2cccc(-n3c4ccc5c6ccccc6oc5c4n4c5ccccc5nc34)c2)c(F)n1
InChIInChI=1S/C30H16F2N4O/c31-26-15-13-19(29(32)34-26)17-6-5-7-18(16-17)35-24-14-12-21-20-8-1-4-11-25(20)37-28(21)27(24)36-23-10-3-2-9-22(23)33-30(35)36/h1-16H
InChIKeyDILZGDHJFSSCDY-UHFFFAOYSA-N
MW486.48 g/mol
LogP7.67
Rot. Bonds2

About 14-[3-(2,6-difluoro-3-pyridinyl)phenyl]-3-oxa-14,16,23-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4,6,8,11,15,17,19,21-decaene

14-[3-(2,6-difluoro-3-pyridinyl)phenyl]-3-oxa-14,16,23-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4,6,8,11,15,17,19,21-decaene (PubChem CID 134169367) has the molecular formula C30H16F2N4O and a molecular weight of 486.48 g/mol. Its IUPAC name is 14-[3-(2,6-difluoro-3-pyridinyl)phenyl]-3-oxa-14,16,23-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4,6,8,11,15,17,19,21-decaene.

Molecular Properties

Compound Name14-[3-(2,6-difluoro-3-pyridinyl)phenyl]-3-oxa-14,16,23-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4,6,8,11,15,17,19,21-decaene
PubChem CID134169367
Molecular FormulaC30H16F2N4O
Molecular Weight486.48 g/mol
Exact Mass486.13
IUPAC Name14-[3-(2,6-difluoro-3-pyridinyl)phenyl]-3-oxa-14,16,23-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4,6,8,11,15,17,19,21-decaene
SMILESFc1ccc(-c2cccc(-n3c4ccc5c6ccccc6oc5c4n4c5ccccc5nc34)c2)c(F)n1
InChIInChI=1S/C30H16F2N4O/c31-26-15-13-19(29(32)34-26)17-6-5-7-18(16-17)35-24-14-12-21-20-8-1-4-11-25(20)37-28(21)27(24)36-23-10-3-2-9-22(23)33-30(35)36/h1-16H
InChIKeyDILZGDHJFSSCDY-UHFFFAOYSA-N
XLogP7.67
TPSA48.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.48
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 14-[3-(2,6-difluoro-3-pyridinyl)phenyl]-3-oxa-14,16,23-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4,6,8,11,15,17,19,21-decaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 14-[3-(2,6-difluoro-3-pyridinyl)phenyl]-3-oxa-14,16,23-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4,6,8,11,15,17,19,21-decaene?
The IUPAC name of 14-[3-(2,6-difluoro-3-pyridinyl)phenyl]-3-oxa-14,16,23-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4,6,8,11,15,17,19,21-decaene (CID 134169367) is 14-[3-(2,6-difluoro-3-pyridinyl)phenyl]-3-oxa-14,16,23-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4,6,8,11,15,17,19,21-decaene.
What is the SMILES notation for 14-[3-(2,6-difluoro-3-pyridinyl)phenyl]-3-oxa-14,16,23-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4,6,8,11,15,17,19,21-decaene?
The canonical SMILES for 14-[3-(2,6-difluoro-3-pyridinyl)phenyl]-3-oxa-14,16,23-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4,6,8,11,15,17,19,21-decaene is Fc1ccc(-c2cccc(-n3c4ccc5c6ccccc6oc5c4n4c5ccccc5nc34)c2)c(F)n1.
What is the InChIKey of 14-[3-(2,6-difluoro-3-pyridinyl)phenyl]-3-oxa-14,16,23-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4,6,8,11,15,17,19,21-decaene?
The InChIKey is DILZGDHJFSSCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16F2N4O/c31-26-15-13-19(29(32)34-26)17-6-5-7-18(16-17)35-24-14-12-21-20-8-1-4-11-25(20)37-28(21)27(24)36-23-10-3-2-9-22(23)33-30(35)36/h1-16H.
What are the key properties of 14-[3-(2,6-difluoro-3-pyridinyl)phenyl]-3-oxa-14,16,23-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4,6,8,11,15,17,19,21-decaene?
14-[3-(2,6-difluoro-3-pyridinyl)phenyl]-3-oxa-14,16,23-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4,6,8,11,15,17,19,21-decaene has a molecular weight of 486.48 g/mol, XLogP of 7.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[3-(2,6-difluoro-3-pyridinyl)phenyl]-3-oxa-14,16,23-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4,6,8,11,15,17,19,21-decaene is sourced from PubChem (CID 134169367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).