CID 166076832

C23H14B2F4N4O2 — CID 166076832

IUPAC—
SMILES[B]C1([B])c2ncccc2C(=O)N1Cc1c(F)cc(-c2ccc(OC(F)F)c3nn(C)cc23)cc1F
InChIInChI=1S/C23H14B2F4N4O2/c1-32-9-14-12(4-5-18(19(14)31-32)35-22(28)29)11-7-16(26)15(17(27)8-11)10-33-21(34)13-3-2-6-30-20(13)23(33,24)25/h2-9,22H,10H2,1H3
InChIKeyNBANJTDJSFPVFR-UHFFFAOYSA-N
MW476.01 g/mol
LogP3.62
Rot. Bonds5

About CID 166076832

CID 166076832 (PubChem CID 166076832) has the molecular formula C23H14B2F4N4O2 and a molecular weight of 476.01 g/mol.

Molecular Properties

Compound NameCID 166076832
PubChem CID166076832
Molecular FormulaC23H14B2F4N4O2
Molecular Weight476.01 g/mol
Exact Mass476.12
IUPAC Name—
SMILES[B]C1([B])c2ncccc2C(=O)N1Cc1c(F)cc(-c2ccc(OC(F)F)c3nn(C)cc23)cc1F
InChIInChI=1S/C23H14B2F4N4O2/c1-32-9-14-12(4-5-18(19(14)31-32)35-22(28)29)11-7-16(26)15(17(27)8-11)10-33-21(34)13-3-2-6-30-20(13)23(33,24)25/h2-9,22H,10H2,1H3
InChIKeyNBANJTDJSFPVFR-UHFFFAOYSA-N
XLogP3.62
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.01
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze CID 166076832 with MolForge

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

Launch Full Analysis

Related Compounds

CID 175616533
CID 175616533
CID 166076412
CID 166076412
7,7-dideuterio-6-[[4-[7-(difluoromethoxy)-2-methylindazol-4-yl]-2,6-difluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
CID 171760290
CID 175616439
CID 175616439
CID 175616577
CID 175616577
6-[[2,6-difluoro-4-[7-[(2S)-1-methoxypropan-2-yl]oxy-2-methylindazol-4-yl]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615895
CID 171528510
CID 171528510
6-[[2,6-difluoro-4-[2-methyl-7-(1-propan-2-ylazetidin-3-yl)oxyindazol-4-yl]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615904
6-[[4-(7-ethoxy-2-methylindazol-4-yl)-2,6-difluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615838
6-[[2-cyclopropyl-4-(7-cyclopropyloxy-2-methylindazol-4-yl)-6-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615917
6-[[4-[7-(1-butylazetidin-3-yl)oxy-2-methylindazol-4-yl]-2,6-difluorophenyl]methyl]-7,7-dideuteriopyrrolo[3,4-b]pyridin-5-one
CID 171760555
CID 175616432
CID 175616432

Frequently Asked Questions

What is the IUPAC name of CID 166076832?
The IUPAC name of CID 166076832 (CID 166076832) is not available.
What is the SMILES notation for CID 166076832?
The canonical SMILES for CID 166076832 is [B]C1([B])c2ncccc2C(=O)N1Cc1c(F)cc(-c2ccc(OC(F)F)c3nn(C)cc23)cc1F.
What is the InChIKey of CID 166076832?
The InChIKey is NBANJTDJSFPVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14B2F4N4O2/c1-32-9-14-12(4-5-18(19(14)31-32)35-22(28)29)11-7-16(26)15(17(27)8-11)10-33-21(34)13-3-2-6-30-20(13)23(33,24)25/h2-9,22H,10H2,1H3.
What are the key properties of CID 166076832?
CID 166076832 has a molecular weight of 476.01 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166076832 is sourced from PubChem (CID 166076832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).