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

C21H20N4O — CID 45193318

IUPAC4-[3-[1-(pyrrolidin-3-ylmethyl)pyrazol-3-yl]phenyl]furo[3,2-c]pyridine
SMILESc1cc(-c2ccn(CC3CCNC3)n2)cc(-c2nccc3occc23)c1
InChIInChI=1S/C21H20N4O/c1-2-16(19-6-10-25(24-19)14-15-4-8-22-13-15)12-17(3-1)21-18-7-11-26-20(18)5-9-23-21/h1-3,5-7,9-12,15,22H,4,8,13-14H2
InChIKeyOGCHGZPHGJHKKE-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.97
Rot. Bonds4

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

4-[3-[1-(pyrrolidin-3-ylmethyl)pyrazol-3-yl]phenyl]furo[3,2-c]pyridine (PubChem CID 45193318) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-[3-[1-(pyrrolidin-3-ylmethyl)pyrazol-3-yl]phenyl]furo[3,2-c]pyridine.

Molecular Properties

Compound Name4-[3-[1-(pyrrolidin-3-ylmethyl)pyrazol-3-yl]phenyl]furo[3,2-c]pyridine
PubChem CID45193318
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name4-[3-[1-(pyrrolidin-3-ylmethyl)pyrazol-3-yl]phenyl]furo[3,2-c]pyridine
SMILESc1cc(-c2ccn(CC3CCNC3)n2)cc(-c2nccc3occc23)c1
InChIInChI=1S/C21H20N4O/c1-2-16(19-6-10-25(24-19)14-15-4-8-22-13-15)12-17(3-1)21-18-7-11-26-20(18)5-9-23-21/h1-3,5-7,9-12,15,22H,4,8,13-14H2
InChIKeyOGCHGZPHGJHKKE-UHFFFAOYSA-N
XLogP3.97
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[1-(pyrrolidin-3-ylmethyl)pyrazol-3-yl]phenyl]thieno[2,3-d]pyrimidine
CID 45253118
4-[3-[1-(cyclopropylmethyl)pyrazol-3-yl]phenyl]-2-methylpyrimidine
CID 29029041
4-furo[3,2-c]pyridin-4-yl-N-pyrrolidin-3-ylbenzamide
CID 166900825
2,5-dimethyl-3-[3-[1-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazol-3-yl]phenyl]pyrazine
CID 30936152
2-methoxy-3-[3-[1-(oxan-2-ylmethyl)pyrazol-3-yl]phenyl]pyrazine
CID 45206673
1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)pyrazole
CID 62371096
N-(piperidin-3-ylmethyl)furo[3,2-c]pyridin-4-amine
CID 106535248
N-[(3S)-pyrrolidin-3-yl]furo[3,2-c]pyridin-4-amine
CID 129414245
3-[3-[[(3S)-pyrrolidin-3-yl]methyl]pyrazin-2-yl]benzoic acid
CID 124979752
4-phenyl-1-(pyrrolidin-3-ylmethyl)pyrazole
CID 55113009
N-propyl-N-pyrrolidin-3-ylfuro[3,2-c]pyridin-4-amine
CID 106535287
7-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine;dihydrochloride
CID 121210532

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(pyrrolidin-3-ylmethyl)pyrazol-3-yl]phenyl]furo[3,2-c]pyridine?
The IUPAC name of 4-[3-[1-(pyrrolidin-3-ylmethyl)pyrazol-3-yl]phenyl]furo[3,2-c]pyridine (CID 45193318) is 4-[3-[1-(pyrrolidin-3-ylmethyl)pyrazol-3-yl]phenyl]furo[3,2-c]pyridine.
What is the SMILES notation for 4-[3-[1-(pyrrolidin-3-ylmethyl)pyrazol-3-yl]phenyl]furo[3,2-c]pyridine?
The canonical SMILES for 4-[3-[1-(pyrrolidin-3-ylmethyl)pyrazol-3-yl]phenyl]furo[3,2-c]pyridine is c1cc(-c2ccn(CC3CCNC3)n2)cc(-c2nccc3occc23)c1.
What is the InChIKey of 4-[3-[1-(pyrrolidin-3-ylmethyl)pyrazol-3-yl]phenyl]furo[3,2-c]pyridine?
The InChIKey is OGCHGZPHGJHKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-2-16(19-6-10-25(24-19)14-15-4-8-22-13-15)12-17(3-1)21-18-7-11-26-20(18)5-9-23-21/h1-3,5-7,9-12,15,22H,4,8,13-14H2.
What are the key properties of 4-[3-[1-(pyrrolidin-3-ylmethyl)pyrazol-3-yl]phenyl]furo[3,2-c]pyridine?
4-[3-[1-(pyrrolidin-3-ylmethyl)pyrazol-3-yl]phenyl]furo[3,2-c]pyridine has a molecular weight of 344.42 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(pyrrolidin-3-ylmethyl)pyrazol-3-yl]phenyl]furo[3,2-c]pyridine is sourced from PubChem (CID 45193318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).