furo[3,2-c]pyridin-4-yl-[(1R,8S)-4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone

C23H17F3N4O2 — CID 146480832

IUPACfuro[3,2-c]pyridin-4-yl-[(1R,8S)-4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone
SMILESCn1nc2c(c1-c1cc(F)c(F)c(F)c1)C[C@@H]1CC[C@H]2N1C(=O)c1nccc2occc12
InChIInChI=1S/C23H17F3N4O2/c1-29-22(11-8-15(24)19(26)16(25)9-11)14-10-12-2-3-17(20(14)28-29)30(12)23(31)21-13-5-7-32-18(13)4-6-27-21/h4-9,12,17H,2-3,10H2,1H3/t12-,17+/m0/s1
InChIKeyDUQBATTVGHATOI-YVEFUNNKSA-N
MW438.41 g/mol
LogP4.55
Rot. Bonds2

About furo[3,2-c]pyridin-4-yl-[(1R,8S)-4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone

furo[3,2-c]pyridin-4-yl-[(1R,8S)-4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone (PubChem CID 146480832) has the molecular formula C23H17F3N4O2 and a molecular weight of 438.41 g/mol. Its IUPAC name is furo[3,2-c]pyridin-4-yl-[(1R,8S)-4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone.

Molecular Properties

Compound Namefuro[3,2-c]pyridin-4-yl-[(1R,8S)-4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone
PubChem CID146480832
Molecular FormulaC23H17F3N4O2
Molecular Weight438.41 g/mol
Exact Mass438.13
IUPAC Namefuro[3,2-c]pyridin-4-yl-[(1R,8S)-4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone
SMILESCn1nc2c(c1-c1cc(F)c(F)c(F)c1)C[C@@H]1CC[C@H]2N1C(=O)c1nccc2occc12
InChIInChI=1S/C23H17F3N4O2/c1-29-22(11-8-15(24)19(26)16(25)9-11)14-10-12-2-3-17(20(14)28-29)30(12)23(31)21-13-5-7-32-18(13)4-6-27-21/h4-9,12,17H,2-3,10H2,1H3/t12-,17+/m0/s1
InChIKeyDUQBATTVGHATOI-YVEFUNNKSA-N
XLogP4.55
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze furo[3,2-c]pyridin-4-yl-[(1R,8S)-4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone 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 furo[3,2-c]pyridin-4-yl-[(1R,8S)-4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone?
The IUPAC name of furo[3,2-c]pyridin-4-yl-[(1R,8S)-4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone (CID 146480832) is furo[3,2-c]pyridin-4-yl-[(1R,8S)-4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone.
What is the SMILES notation for furo[3,2-c]pyridin-4-yl-[(1R,8S)-4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone?
The canonical SMILES for furo[3,2-c]pyridin-4-yl-[(1R,8S)-4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone is Cn1nc2c(c1-c1cc(F)c(F)c(F)c1)C[C@@H]1CC[C@H]2N1C(=O)c1nccc2occc12.
What is the InChIKey of furo[3,2-c]pyridin-4-yl-[(1R,8S)-4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone?
The InChIKey is DUQBATTVGHATOI-YVEFUNNKSA-N. The full InChI is InChI=1S/C23H17F3N4O2/c1-29-22(11-8-15(24)19(26)16(25)9-11)14-10-12-2-3-17(20(14)28-29)30(12)23(31)21-13-5-7-32-18(13)4-6-27-21/h4-9,12,17H,2-3,10H2,1H3/t12-,17+/m0/s1.
What are the key properties of furo[3,2-c]pyridin-4-yl-[(1R,8S)-4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone?
furo[3,2-c]pyridin-4-yl-[(1R,8S)-4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone has a molecular weight of 438.41 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furo[3,2-c]pyridin-4-yl-[(1R,8S)-4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone is sourced from PubChem (CID 146480832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).