5-(1-methylpyrazol-4-yl)-3-(3-pyridin-4-ylphenyl)furo[3,2-b]pyridine

C22H16N4O — CID 155891794

IUPAC5-(1-methylpyrazol-4-yl)-3-(3-pyridin-4-ylphenyl)furo[3,2-b]pyridine
SMILESCn1cc(-c2ccc3occ(-c4cccc(-c5ccncc5)c4)c3n2)cn1
InChIInChI=1S/C22H16N4O/c1-26-13-18(12-24-26)20-5-6-21-22(25-20)19(14-27-21)17-4-2-3-16(11-17)15-7-9-23-10-8-15/h2-14H,1H3
InChIKeyHEAGNKNMQVIVMM-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.96
Rot. Bonds3

About 5-(1-methylpyrazol-4-yl)-3-(3-pyridin-4-ylphenyl)furo[3,2-b]pyridine

5-(1-methylpyrazol-4-yl)-3-(3-pyridin-4-ylphenyl)furo[3,2-b]pyridine (PubChem CID 155891794) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-3-(3-pyridin-4-ylphenyl)furo[3,2-b]pyridine.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-3-(3-pyridin-4-ylphenyl)furo[3,2-b]pyridine
PubChem CID155891794
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC Name5-(1-methylpyrazol-4-yl)-3-(3-pyridin-4-ylphenyl)furo[3,2-b]pyridine
SMILESCn1cc(-c2ccc3occ(-c4cccc(-c5ccncc5)c4)c3n2)cn1
InChIInChI=1S/C22H16N4O/c1-26-13-18(12-24-26)20-5-6-21-22(25-20)19(14-27-21)17-4-2-3-16(11-17)15-7-9-23-10-8-15/h2-14H,1H3
InChIKeyHEAGNKNMQVIVMM-UHFFFAOYSA-N
XLogP4.96
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2s)-1-{[6-Furan-3-Yl-5-(3-Methyl-2h-Indazol-5-Yl)pyridin-3-Yl]oxy}-3-(1h-Indol-3-Yl)propan-2-Amine
CID 46225540
4-[3-(4-Fluorophenyl)furo[3,2-b]pyridin-2-yl]pyridine
CID 10935149
3-(4-Tert-butylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine
CID 118493227
6-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 25072941
(2S)-1-(1H-indol-3-yl)-3-(5-(3-methyl-1H-indazol-5-yl)-6-(2-methylfuran-3-yl)pyridin-3-yloxy)propan-2-amine
CID 46190874
3-[(2S,4S)-2-ethyloxan-4-yl]-6,12-bis(1-methylpyrazol-4-yl)-4-oxo-8-oxa-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaene-11-carbonitrile
CID 71661851
3-[(2S,4S)-2-ethyloxan-4-yl]-6,12-bis(1-methylpyrazol-4-yl)-8-oxa-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
CID 71681904
3-[(2S)-2-amino-3-phenylpropoxy]-5-[3-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridine
CID 23647441
5-[4-[2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl]triazol-1-yl]pyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 122189391
(S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)-3-phenylpropan-2-amine
CID 11495551
5-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 25071385
2-Pyridinamine, 3-(2-benzoxazolyl)-5-[3-methyl-1-(1-methyl-4-piperidinyl)-1H-pyrazol-4-yl]-
CID 42599603

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-3-(3-pyridin-4-ylphenyl)furo[3,2-b]pyridine?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-3-(3-pyridin-4-ylphenyl)furo[3,2-b]pyridine (CID 155891794) is 5-(1-methylpyrazol-4-yl)-3-(3-pyridin-4-ylphenyl)furo[3,2-b]pyridine.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-3-(3-pyridin-4-ylphenyl)furo[3,2-b]pyridine?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-3-(3-pyridin-4-ylphenyl)furo[3,2-b]pyridine is Cn1cc(-c2ccc3occ(-c4cccc(-c5ccncc5)c4)c3n2)cn1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-3-(3-pyridin-4-ylphenyl)furo[3,2-b]pyridine?
The InChIKey is HEAGNKNMQVIVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O/c1-26-13-18(12-24-26)20-5-6-21-22(25-20)19(14-27-21)17-4-2-3-16(11-17)15-7-9-23-10-8-15/h2-14H,1H3.
What are the key properties of 5-(1-methylpyrazol-4-yl)-3-(3-pyridin-4-ylphenyl)furo[3,2-b]pyridine?
5-(1-methylpyrazol-4-yl)-3-(3-pyridin-4-ylphenyl)furo[3,2-b]pyridine has a molecular weight of 352.40 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-3-(3-pyridin-4-ylphenyl)furo[3,2-b]pyridine is sourced from PubChem (CID 155891794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).