4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-7-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyquinoline

C40H30N8O — CID 142776019

IUPAC4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-7-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyquinoline
SMILESc1ccc(-c2nn3c(c2-c2ccnc4cc(Oc5ccc6c(-c7c(-c8ccccn8)nn8c7CCC8)ccnc6c5)ccc24)CCC3)nc1
InChIInChI=1S/C40H30N8O/c1-3-17-41-31(7-1)39-37(35-9-5-21-47(35)45-39)29-15-19-43-33-23-25(11-13-27(29)33)49-26-12-14-28-30(16-20-44-34(28)24-26)38-36-10-6-22-48(36)46-40(38)32-8-2-4-18-42-32/h1-4,7-8,11-20,23-24H,5-6,9-10,21-22H2
InChIKeyXFOTXQWFIVKWJA-UHFFFAOYSA-N
MW638.74 g/mol
LogP8.32
Rot. Bonds6

About 4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-7-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyquinoline

4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-7-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyquinoline (PubChem CID 142776019) has the molecular formula C40H30N8O and a molecular weight of 638.74 g/mol. Its IUPAC name is 4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-7-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyquinoline.

Molecular Properties

Compound Name4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-7-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyquinoline
PubChem CID142776019
Molecular FormulaC40H30N8O
Molecular Weight638.74 g/mol
Exact Mass638.25
IUPAC Name4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-7-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyquinoline
SMILESc1ccc(-c2nn3c(c2-c2ccnc4cc(Oc5ccc6c(-c7c(-c8ccccn8)nn8c7CCC8)ccnc6c5)ccc24)CCC3)nc1
InChIInChI=1S/C40H30N8O/c1-3-17-41-31(7-1)39-37(35-9-5-21-47(35)45-39)29-15-19-43-33-23-25(11-13-27(29)33)49-26-12-14-28-30(16-20-44-34(28)24-26)38-36-10-6-22-48(36)46-40(38)32-8-2-4-18-42-32/h1-4,7-8,11-20,23-24H,5-6,9-10,21-22H2
InChIKeyXFOTXQWFIVKWJA-UHFFFAOYSA-N
XLogP8.32
TPSA96.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.74
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-7-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyquinoline with MolForge

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Related Compounds

1-(4-Methyl-piperazin-1-yl)-2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-quinolin-7-yloxy]-ethanone
CID 10276818
LY2109761
CID 11655119
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
Dihydropyrrolopyrazole, 15b
CID 21992730
Dihydropyrrolopyrazole, 15a
CID 21992811
Dihydropyrrolopyrazole, 15c
CID 21992812
Dihydropyrrolopyrazole, 15
CID 24776251
Dihydropyrrolopyrazole, 19
CID 24776252
Dihydropyrrolopyrazole, 23
CID 24776257
Dihydropyrrolopyrazole, 20a
CID 24776253

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-7-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyquinoline?
The IUPAC name of 4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-7-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyquinoline (CID 142776019) is 4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-7-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyquinoline.
What is the SMILES notation for 4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-7-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyquinoline?
The canonical SMILES for 4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-7-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyquinoline is c1ccc(-c2nn3c(c2-c2ccnc4cc(Oc5ccc6c(-c7c(-c8ccccn8)nn8c7CCC8)ccnc6c5)ccc24)CCC3)nc1.
What is the InChIKey of 4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-7-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyquinoline?
The InChIKey is XFOTXQWFIVKWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N8O/c1-3-17-41-31(7-1)39-37(35-9-5-21-47(35)45-39)29-15-19-43-33-23-25(11-13-27(29)33)49-26-12-14-28-30(16-20-44-34(28)24-26)38-36-10-6-22-48(36)46-40(38)32-8-2-4-18-42-32/h1-4,7-8,11-20,23-24H,5-6,9-10,21-22H2.
What are the key properties of 4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-7-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyquinoline?
4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-7-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyquinoline has a molecular weight of 638.74 g/mol, XLogP of 8.32, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-7-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyquinoline is sourced from PubChem (CID 142776019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).