7-(1-methylpyrazol-4-yl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[3,2-b]pyridine

C24H26N4O2 — CID 66779259

IUPAC7-(1-methylpyrazol-4-yl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[3,2-b]pyridine
SMILESCn1cc(-c2ccnc3cc(-c4ccc(OCCN5CCCCC5)cc4)oc23)cn1
InChIInChI=1S/C24H26N4O2/c1-27-17-19(16-26-27)21-9-10-25-22-15-23(30-24(21)22)18-5-7-20(8-6-18)29-14-13-28-11-3-2-4-12-28/h5-10,15-17H,2-4,11-14H2,1H3
InChIKeyQPHXEOMKHRVFST-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.76
Rot. Bonds6

About 7-(1-methylpyrazol-4-yl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[3,2-b]pyridine

7-(1-methylpyrazol-4-yl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[3,2-b]pyridine (PubChem CID 66779259) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 7-(1-methylpyrazol-4-yl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[3,2-b]pyridine.

Molecular Properties

Compound Name7-(1-methylpyrazol-4-yl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[3,2-b]pyridine
PubChem CID66779259
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name7-(1-methylpyrazol-4-yl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[3,2-b]pyridine
SMILESCn1cc(-c2ccnc3cc(-c4ccc(OCCN5CCCCC5)cc4)oc23)cn1
InChIInChI=1S/C24H26N4O2/c1-27-17-19(16-26-27)21-9-10-25-22-15-23(30-24(21)22)18-5-7-20(8-6-18)29-14-13-28-11-3-2-4-12-28/h5-10,15-17H,2-4,11-14H2,1H3
InChIKeyQPHXEOMKHRVFST-UHFFFAOYSA-N
XLogP4.76
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-Methyl-1H-pyrazol-4-yl)-3-(3-(pyridin-4-yl)phenyl)furo[3,2-b]pyridine
CID 155891794
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
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
1-{[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-[2-(1H-pyrazol-1-yl)ethyl]piperidine
CID 16190663
5-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 25071385
6-[(6-Methoxy-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151149
5-[(6-Methoxy-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]furan-2-carboxylic acid
CID 60151284
12-(1-Methylpyrazol-4-yl)-3-[2-(oxolan-2-yl)ethyl]-6-pyridin-3-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
CID 71681110
6-(4-Methoxyphenyl)-12-(1-methylpyrazol-4-yl)-3-[2-(oxolan-2-yl)ethyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
CID 71681412
6-(6-Methoxy-3-pyridinyl)-12-(1-methylpyrazol-4-yl)-3-[2-(oxolan-2-yl)ethyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
CID 71681413

Frequently Asked Questions

What is the IUPAC name of 7-(1-methylpyrazol-4-yl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[3,2-b]pyridine?
The IUPAC name of 7-(1-methylpyrazol-4-yl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[3,2-b]pyridine (CID 66779259) is 7-(1-methylpyrazol-4-yl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[3,2-b]pyridine.
What is the SMILES notation for 7-(1-methylpyrazol-4-yl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[3,2-b]pyridine?
The canonical SMILES for 7-(1-methylpyrazol-4-yl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[3,2-b]pyridine is Cn1cc(-c2ccnc3cc(-c4ccc(OCCN5CCCCC5)cc4)oc23)cn1.
What is the InChIKey of 7-(1-methylpyrazol-4-yl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[3,2-b]pyridine?
The InChIKey is QPHXEOMKHRVFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-27-17-19(16-26-27)21-9-10-25-22-15-23(30-24(21)22)18-5-7-20(8-6-18)29-14-13-28-11-3-2-4-12-28/h5-10,15-17H,2-4,11-14H2,1H3.
What are the key properties of 7-(1-methylpyrazol-4-yl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[3,2-b]pyridine?
7-(1-methylpyrazol-4-yl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[3,2-b]pyridine has a molecular weight of 402.50 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylpyrazol-4-yl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[3,2-b]pyridine is sourced from PubChem (CID 66779259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).