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

C27H21N5O2 — CID 24776254

IUPAC4-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxybenzamide
SMILESNC(=O)c1ccc(Oc2ccc3c(-c4c(-c5ccccn5)nn5c4CCC5)ccnc3c2)cc1
InChIInChI=1S/C27H21N5O2/c28-27(33)17-6-8-18(9-7-17)34-19-10-11-20-21(12-14-30-23(20)16-19)25-24-5-3-15-32(24)31-26(25)22-4-1-2-13-29-22/h1-2,4,6-14,16H,3,5,15H2,(H2,28,33)
InChIKeyAGGKJZJGTURGMI-UHFFFAOYSA-N
MW447.50 g/mol
LogP5.00
Rot. Bonds5

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

4-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxybenzamide (PubChem CID 24776254) has the molecular formula C27H21N5O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is 4-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxybenzamide.

Molecular Properties

Compound Name4-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxybenzamide
PubChem CID24776254
Molecular FormulaC27H21N5O2
Molecular Weight447.50 g/mol
Exact Mass447.17
IUPAC Name4-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxybenzamide
SMILESNC(=O)c1ccc(Oc2ccc3c(-c4c(-c5ccccn5)nn5c4CCC5)ccnc3c2)cc1
InChIInChI=1S/C27H21N5O2/c28-27(33)17-6-8-18(9-7-17)34-19-10-11-20-21(12-14-30-23(20)16-19)25-24-5-3-15-32(24)31-26(25)22-4-1-2-13-29-22/h1-2,4,6-14,16H,3,5,15H2,(H2,28,33)
InChIKeyAGGKJZJGTURGMI-UHFFFAOYSA-N
XLogP5.00
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxybenzamide?
The IUPAC name of 4-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxybenzamide (CID 24776254) is 4-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxybenzamide.
What is the SMILES notation for 4-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxybenzamide?
The canonical SMILES for 4-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxybenzamide is NC(=O)c1ccc(Oc2ccc3c(-c4c(-c5ccccn5)nn5c4CCC5)ccnc3c2)cc1.
What is the InChIKey of 4-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxybenzamide?
The InChIKey is AGGKJZJGTURGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O2/c28-27(33)17-6-8-18(9-7-17)34-19-10-11-20-21(12-14-30-23(20)16-19)25-24-5-3-15-32(24)31-26(25)22-4-1-2-13-29-22/h1-2,4,6-14,16H,3,5,15H2,(H2,28,33).
What are the key properties of 4-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxybenzamide?
4-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxybenzamide has a molecular weight of 447.50 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxybenzamide is sourced from PubChem (CID 24776254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).