4-[3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]furo[3,2-c]pyridine

C21H20N4O — CID 165424829

IUPAC4-[3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]furo[3,2-c]pyridine
SMILESc1cc(CN2CCC(c3ccn[nH]3)C2)cc(-c2nccc3occc23)c1
InChIInChI=1S/C21H20N4O/c1-2-15(13-25-10-6-17(14-25)19-4-9-23-24-19)12-16(3-1)21-18-7-11-26-20(18)5-8-22-21/h1-5,7-9,11-12,17H,6,10,13-14H2,(H,23,24)
InChIKeyZDZSMCNHXQGGCQ-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.21
Rot. Bonds4

About 4-[3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]furo[3,2-c]pyridine

4-[3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]furo[3,2-c]pyridine (PubChem CID 165424829) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-[3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]furo[3,2-c]pyridine.

Molecular Properties

Compound Name4-[3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]furo[3,2-c]pyridine
PubChem CID165424829
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name4-[3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]furo[3,2-c]pyridine
SMILESc1cc(CN2CCC(c3ccn[nH]3)C2)cc(-c2nccc3occc23)c1
InChIInChI=1S/C21H20N4O/c1-2-15(13-25-10-6-17(14-25)19-4-9-23-24-19)12-16(3-1)21-18-7-11-26-20(18)5-8-22-21/h1-5,7-9,11-12,17H,6,10,13-14H2,(H,23,24)
InChIKeyZDZSMCNHXQGGCQ-UHFFFAOYSA-N
XLogP4.21
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]furo[3,2-c]pyridine?
The IUPAC name of 4-[3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]furo[3,2-c]pyridine (CID 165424829) is 4-[3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]furo[3,2-c]pyridine.
What is the SMILES notation for 4-[3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]furo[3,2-c]pyridine?
The canonical SMILES for 4-[3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]furo[3,2-c]pyridine is c1cc(CN2CCC(c3ccn[nH]3)C2)cc(-c2nccc3occc23)c1.
What is the InChIKey of 4-[3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]furo[3,2-c]pyridine?
The InChIKey is ZDZSMCNHXQGGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-2-15(13-25-10-6-17(14-25)19-4-9-23-24-19)12-16(3-1)21-18-7-11-26-20(18)5-8-22-21/h1-5,7-9,11-12,17H,6,10,13-14H2,(H,23,24).
What are the key properties of 4-[3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]furo[3,2-c]pyridine?
4-[3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]furo[3,2-c]pyridine has a molecular weight of 344.42 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]furo[3,2-c]pyridine is sourced from PubChem (CID 165424829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).