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

C29H25N5O2 — CID 24776256

IUPACN,N-dimethyl-4-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxybenzamide
SMILESCN(C)C(=O)c1ccc(Oc2ccc3c(-c4c(-c5ccccn5)nn5c4CCC5)ccnc3c2)cc1
InChIInChI=1S/C29H25N5O2/c1-33(2)29(35)19-8-10-20(11-9-19)36-21-12-13-22-23(14-16-31-25(22)18-21)27-26-7-5-17-34(26)32-28(27)24-6-3-4-15-30-24/h3-4,6,8-16,18H,5,7,17H2,1-2H3
InChIKeyILBLPSAZJBRIJQ-UHFFFAOYSA-N
MW475.55 g/mol
LogP5.60
Rot. Bonds5

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

N,N-dimethyl-4-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxybenzamide (PubChem CID 24776256) has the molecular formula C29H25N5O2 and a molecular weight of 475.55 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxybenzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxybenzamide
PubChem CID24776256
Molecular FormulaC29H25N5O2
Molecular Weight475.55 g/mol
Exact Mass475.20
IUPAC NameN,N-dimethyl-4-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxybenzamide
SMILESCN(C)C(=O)c1ccc(Oc2ccc3c(-c4c(-c5ccccn5)nn5c4CCC5)ccnc3c2)cc1
InChIInChI=1S/C29H25N5O2/c1-33(2)29(35)19-8-10-20(11-9-19)36-21-12-13-22-23(14-16-31-25(22)18-21)27-26-7-5-17-34(26)32-28(27)24-6-3-4-15-30-24/h3-4,6,8-16,18H,5,7,17H2,1-2H3
InChIKeyILBLPSAZJBRIJQ-UHFFFAOYSA-N
XLogP5.60
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.55
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-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 N,N-dimethyl-4-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxybenzamide (CID 24776256) is N,N-dimethyl-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 N,N-dimethyl-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 N,N-dimethyl-4-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxybenzamide is CN(C)C(=O)c1ccc(Oc2ccc3c(-c4c(-c5ccccn5)nn5c4CCC5)ccnc3c2)cc1.
What is the InChIKey of N,N-dimethyl-4-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxybenzamide?
The InChIKey is ILBLPSAZJBRIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O2/c1-33(2)29(35)19-8-10-20(11-9-19)36-21-12-13-22-23(14-16-31-25(22)18-21)27-26-7-5-17-34(26)32-28(27)24-6-3-4-15-30-24/h3-4,6,8-16,18H,5,7,17H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxybenzamide?
N,N-dimethyl-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 475.55 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-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 24776256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).