CID 173625211

C23H24BF3N4O5 — CID 173625211

IUPAC—
SMILES[B]C1=CN=C2C(=C1C(C3=CN=C(C=C3)C(F)(F)F)O)C(=O)N(C(=O)N2C)CCCOC4CCCCO4
InChIInChI=1S/C23H24BF3N4O5/c1-30-20-18(21(33)31(22(30)34)8-4-10-36-16-5-2-3-9-35-16)17(14(24)12-29-20)19(32)13-6-7-15(28-11-13)23(25,26)27/h6-7,11-12,16,19,32H,2-5,8-10H2,1H3
InChIKeyQKEJDZSZHUEVFK-UHFFFAOYSA-N
MW504.30 g/mol
LogP—
Rot. Bonds7

About CID 173625211

CID 173625211 (PubChem CID 173625211) has the molecular formula C23H24BF3N4O5 and a molecular weight of 504.30 g/mol.

Molecular Properties

Compound NameCID 173625211
PubChem CID173625211
Molecular FormulaC23H24BF3N4O5
Molecular Weight504.30 g/mol
Exact Mass504.18
IUPAC Name—
SMILES[B]C1=CN=C2C(=C1C(C3=CN=C(C=C3)C(F)(F)F)O)C(=O)N(C(=O)N2C)CCCOC4CCCCO4
InChIInChI=1S/C23H24BF3N4O5/c1-30-20-18(21(33)31(22(30)34)8-4-10-36-16-5-2-3-9-35-16)17(14(24)12-29-20)19(32)13-6-7-15(28-11-13)23(25,26)27/h6-7,11-12,16,19,32H,2-5,8-10H2,1H3
InChIKeyQKEJDZSZHUEVFK-UHFFFAOYSA-N
XLogP—
TPSA105.00 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity793

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-5-(hydroxy(6-(trifluoromethyl)pyridin-3-yl)methyl)-1-methyl-3-(3-((tetrahydro-2H-pyran-2-yl)oxy)propyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 118875490
5-(hydroxy(6-(trifluoromethyl)-pyridin-3-yl)methyl)-1-methyl-3-(3-(tetrahydro-2H-pyran-2-yloxy)propyl)-6-(3-(trifluoromethoxy)phenoxy)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 118875506
5-(hydroxy(6-(trifluoromethyl)pyridin-3-yl)methyl)-1-methyl-6-(5-methylpyridin-3-yloxy)-3-(3-(tetrahydro-2H-pyran-2-yloxy)propyl)pyrido[2,3-d]pyrimidine-2,4 (1H,3H)-dione
CID 118875518
5-(hydroxy(6-(trifluoromethyl)pyridin-3-yl)methyl)-1-methyl-3-(3-((tetrahydro-2H-pyran-2-yl)oxy)propyl)-6-(3-(trifluoromethyl)phenoxy)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 118875884
5-[(4-Fluorophenyl)-hydroxymethyl]-1-methyl-3-[3-(oxan-2-yloxy)propyl]-6-[2-(2-propan-2-ylphenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 118900394
6-Bromo-3-butyl-5-[hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
CID 122527057
6-Bromo-3-butyl-5-[hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;3-[6-bromo-1-methyl-2,4-dioxo-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-3-yl]propyl formate;formic acid;ZINC
CID 159332577
5-[Hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1-methyl-3-[3-(oxan-2-yloxy)propyl]-6-[5-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]oxypyrido[2,3-d]pyrimidine-2,4-dione
CID 163573583
3-(2-Hydroxy-2-pyridin-3-ylethyl)-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 167764516
6-bromo-5-((5-chloropyridin-2-yl)(hydroxy)methyl)-1-methyl-3-(3-(tetrahydro-2H-pyran-2-yloxy)propyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 118875526
5-(1-hydroxy-3-methylbutyl)-6-(2-isopropylphenyl)-1-methyl-3-(3-((tetrahydro-2H-pyran-2-yl)oxy)propyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 118875549
[3-(Oxan-2-yloxymethyl)-2-(5-oxo-7,8-dihydro-1,6-naphthyridin-6-yl)-4-pyridinyl]boronic acid
CID 156718603

Frequently Asked Questions

What is the IUPAC name of CID 173625211?
The IUPAC name of CID 173625211 (CID 173625211) is not available.
What is the SMILES notation for CID 173625211?
The canonical SMILES for CID 173625211 is [B]C1=CN=C2C(=C1C(C3=CN=C(C=C3)C(F)(F)F)O)C(=O)N(C(=O)N2C)CCCOC4CCCCO4.
What is the InChIKey of CID 173625211?
The InChIKey is QKEJDZSZHUEVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BF3N4O5/c1-30-20-18(21(33)31(22(30)34)8-4-10-36-16-5-2-3-9-35-16)17(14(24)12-29-20)19(32)13-6-7-15(28-11-13)23(25,26)27/h6-7,11-12,16,19,32H,2-5,8-10H2,1H3.
What are the key properties of CID 173625211?
CID 173625211 has a molecular weight of 504.30 g/mol, XLogP of not available, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173625211 is sourced from PubChem (CID 173625211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).