2-pyridin-4-yl-3-[4-(pyridin-4-ylmethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole

C23H20N4O — CID 176514670

IUPAC2-pyridin-4-yl-3-[4-(pyridin-4-ylmethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
SMILESc1cc(COc2ccc(-c3c(-c4ccncc4)nn4c3CCC4)cc2)ccn1
InChIInChI=1S/C23H20N4O/c1-2-21-22(23(26-27(21)15-1)19-9-13-25-14-10-19)18-3-5-20(6-4-18)28-16-17-7-11-24-12-8-17/h3-14H,1-2,15-16H2
InChIKeyIMPSKGCOYDNANS-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.53
Rot. Bonds5

About 2-pyridin-4-yl-3-[4-(pyridin-4-ylmethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole

2-pyridin-4-yl-3-[4-(pyridin-4-ylmethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole (PubChem CID 176514670) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-pyridin-4-yl-3-[4-(pyridin-4-ylmethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole.

Molecular Properties

Compound Name2-pyridin-4-yl-3-[4-(pyridin-4-ylmethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
PubChem CID176514670
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name2-pyridin-4-yl-3-[4-(pyridin-4-ylmethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
SMILESc1cc(COc2ccc(-c3c(-c4ccncc4)nn4c3CCC4)cc2)ccn1
InChIInChI=1S/C23H20N4O/c1-2-21-22(23(26-27(21)15-1)19-9-13-25-14-10-19)18-3-5-20(6-4-18)28-16-17-7-11-24-12-8-17/h3-14H,1-2,15-16H2
InChIKeyIMPSKGCOYDNANS-UHFFFAOYSA-N
XLogP4.53
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-pyridin-4-yl-3-[4-(pyridin-4-ylmethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole with MolForge

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Related Compounds

2-((4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline
CID 11581936
2-{4-[4-Pyridin-4-YL-1-(2,2,2-trifluoro-ethyl)-1H-pyrazol-3-YL]-phenoxymethyl}-quinoline
CID 11648276
2-((4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline
CID 11610553
2-[4-(1-Ethyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11682906
2-[4-methoxyphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 9901964
4-{2-[(4-{4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-pyridin-2-yl}-phenyl)oxy]ethyl}morpholine
CID 11604319
LY2109761
CID 11655119
2-[4-(2-Ethyl-4-pyridin-4-yl-2H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11661426
2-[(4-(2-Methyl-4-(pyridin-4-yl)-2H-pyrazol-3-yl)phenoxy)methyl]quinoline
CID 11668304
4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-7-(tetrahydro-furan-2-ylmethoxy)-quinoline
CID 21992511
Dihydropyrrolopyrazole, 14a
CID 21992630
Dihydropyrrolopyrazole, 16a
CID 21992654

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-3-[4-(pyridin-4-ylmethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole?
The IUPAC name of 2-pyridin-4-yl-3-[4-(pyridin-4-ylmethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole (CID 176514670) is 2-pyridin-4-yl-3-[4-(pyridin-4-ylmethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole.
What is the SMILES notation for 2-pyridin-4-yl-3-[4-(pyridin-4-ylmethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole?
The canonical SMILES for 2-pyridin-4-yl-3-[4-(pyridin-4-ylmethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole is c1cc(COc2ccc(-c3c(-c4ccncc4)nn4c3CCC4)cc2)ccn1.
What is the InChIKey of 2-pyridin-4-yl-3-[4-(pyridin-4-ylmethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole?
The InChIKey is IMPSKGCOYDNANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-2-21-22(23(26-27(21)15-1)19-9-13-25-14-10-19)18-3-5-20(6-4-18)28-16-17-7-11-24-12-8-17/h3-14H,1-2,15-16H2.
What are the key properties of 2-pyridin-4-yl-3-[4-(pyridin-4-ylmethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole?
2-pyridin-4-yl-3-[4-(pyridin-4-ylmethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole has a molecular weight of 368.44 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-3-[4-(pyridin-4-ylmethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole is sourced from PubChem (CID 176514670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).