4-[3-[[4-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-3-methoxyphenyl]methyl]imidazo[4,5-b]pyridin-6-yl]but-3-yn-1-ol

C25H22F2N4O3 — CID 118009845

IUPAC4-[3-[[4-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-3-methoxyphenyl]methyl]imidazo[4,5-b]pyridin-6-yl]but-3-yn-1-ol
SMILESCOc1cc(Cn2cnc3cc(C#CCCO)cnc32)ccc1OCc1ccc(C(F)F)nc1
InChIInChI=1S/C25H22F2N4O3/c1-33-23-11-18(6-8-22(23)34-15-19-5-7-20(24(26)27)28-13-19)14-31-16-30-21-10-17(4-2-3-9-32)12-29-25(21)31/h5-8,10-13,16,24,32H,3,9,14-15H2,1H3
InChIKeyHIVVRJXSFJMYEH-UHFFFAOYSA-N
MW464.47 g/mol
LogP4.13
Rot. Bonds8

About 4-[3-[[4-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-3-methoxyphenyl]methyl]imidazo[4,5-b]pyridin-6-yl]but-3-yn-1-ol

4-[3-[[4-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-3-methoxyphenyl]methyl]imidazo[4,5-b]pyridin-6-yl]but-3-yn-1-ol (PubChem CID 118009845) has the molecular formula C25H22F2N4O3 and a molecular weight of 464.47 g/mol. Its IUPAC name is 4-[3-[[4-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-3-methoxyphenyl]methyl]imidazo[4,5-b]pyridin-6-yl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[3-[[4-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-3-methoxyphenyl]methyl]imidazo[4,5-b]pyridin-6-yl]but-3-yn-1-ol
PubChem CID118009845
Molecular FormulaC25H22F2N4O3
Molecular Weight464.47 g/mol
Exact Mass464.17
IUPAC Name4-[3-[[4-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-3-methoxyphenyl]methyl]imidazo[4,5-b]pyridin-6-yl]but-3-yn-1-ol
SMILESCOc1cc(Cn2cnc3cc(C#CCCO)cnc32)ccc1OCc1ccc(C(F)F)nc1
InChIInChI=1S/C25H22F2N4O3/c1-33-23-11-18(6-8-22(23)34-15-19-5-7-20(24(26)27)28-13-19)14-31-16-30-21-10-17(4-2-3-9-32)12-29-25(21)31/h5-8,10-13,16,24,32H,3,9,14-15H2,1H3
InChIKeyHIVVRJXSFJMYEH-UHFFFAOYSA-N
XLogP4.13
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[3-[[4-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-3-methoxyphenyl]methyl]imidazo[4,5-b]pyridin-6-yl]but-3-yn-1-ol with MolForge

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Related Compounds

3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridine
CID 150370331
2-(difluoromethyl)-5-[[4-(imidazol-1-ylmethyl)-5-iodo-2-methoxyphenoxy]methyl]pyridine
CID 118141898
2-(difluoromethyl)-5-[(2-methoxyphenoxy)methyl]pyridine;N-methylmethanamine
CID 158118535
1-[1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]benzimidazol-5-yl]piperidin-4-amine
CID 118009784
4-[2-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]but-3-yn-1-ol
CID 162371213
[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanol
CID 28562159
4-[3-methyl-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]but-3-yn-1-ol
CID 102878083
2-[2-[6-(difluoromethyl)-3-pyridinyl]ethyl]-5-ethyl-N-methylaniline;4-[5-(ethylideneamino)-6-methyl-3-pyridinyl]but-3-yn-1-ol
CID 144862488
5-bromo-2-(2-methoxy-4-propylphenoxy)pyridine;but-3-yn-1-ol;4-[6-(2-methoxy-4-propylphenoxy)-3-pyridinyl]but-3-yn-1-ol
CID 159473712
3-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-8-propan-2-yl-7H-purin-6-imine;hydrochloride
CID 135815292
1-[(3,4-dimethoxyphenyl)methyl]benzimidazol-5-amine
CID 62506051
3-[[5-(4-hydroxybut-1-ynyl)-2-methoxyphenyl]methylsulfanyl]butan-2-ol
CID 107771545

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[4-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-3-methoxyphenyl]methyl]imidazo[4,5-b]pyridin-6-yl]but-3-yn-1-ol?
The IUPAC name of 4-[3-[[4-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-3-methoxyphenyl]methyl]imidazo[4,5-b]pyridin-6-yl]but-3-yn-1-ol (CID 118009845) is 4-[3-[[4-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-3-methoxyphenyl]methyl]imidazo[4,5-b]pyridin-6-yl]but-3-yn-1-ol.
What is the SMILES notation for 4-[3-[[4-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-3-methoxyphenyl]methyl]imidazo[4,5-b]pyridin-6-yl]but-3-yn-1-ol?
The canonical SMILES for 4-[3-[[4-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-3-methoxyphenyl]methyl]imidazo[4,5-b]pyridin-6-yl]but-3-yn-1-ol is COc1cc(Cn2cnc3cc(C#CCCO)cnc32)ccc1OCc1ccc(C(F)F)nc1.
What is the InChIKey of 4-[3-[[4-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-3-methoxyphenyl]methyl]imidazo[4,5-b]pyridin-6-yl]but-3-yn-1-ol?
The InChIKey is HIVVRJXSFJMYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4O3/c1-33-23-11-18(6-8-22(23)34-15-19-5-7-20(24(26)27)28-13-19)14-31-16-30-21-10-17(4-2-3-9-32)12-29-25(21)31/h5-8,10-13,16,24,32H,3,9,14-15H2,1H3.
What are the key properties of 4-[3-[[4-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-3-methoxyphenyl]methyl]imidazo[4,5-b]pyridin-6-yl]but-3-yn-1-ol?
4-[3-[[4-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-3-methoxyphenyl]methyl]imidazo[4,5-b]pyridin-6-yl]but-3-yn-1-ol has a molecular weight of 464.47 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[4-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-3-methoxyphenyl]methyl]imidazo[4,5-b]pyridin-6-yl]but-3-yn-1-ol is sourced from PubChem (CID 118009845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).