3-[2-(dimethylamino)ethoxy]-N-[2,4-dimethyl-5-(6-pyridin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]benzamide

C29H30N6O2 — CID 71667258

IUPAC3-[2-(dimethylamino)ethoxy]-N-[2,4-dimethyl-5-(6-pyridin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]benzamide
SMILESCc1cc(C)c(-n2ccn3nc(-c4cccnc4)cc23)cc1NC(=O)c1cccc(OCCN(C)C)c1
InChIInChI=1S/C29H30N6O2/c1-20-15-21(2)27(34-11-12-35-28(34)18-26(32-35)23-8-6-10-30-19-23)17-25(20)31-29(36)22-7-5-9-24(16-22)37-14-13-33(3)4/h5-12,15-19H,13-14H2,1-4H3,(H,31,36)
InChIKeyDVDRXOIBCYFBTA-UHFFFAOYSA-N
MW494.60 g/mol
LogP5.00
Rot. Bonds8

About 3-[2-(dimethylamino)ethoxy]-N-[2,4-dimethyl-5-(6-pyridin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]benzamide

3-[2-(dimethylamino)ethoxy]-N-[2,4-dimethyl-5-(6-pyridin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]benzamide (PubChem CID 71667258) has the molecular formula C29H30N6O2 and a molecular weight of 494.60 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethoxy]-N-[2,4-dimethyl-5-(6-pyridin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethoxy]-N-[2,4-dimethyl-5-(6-pyridin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]benzamide
PubChem CID71667258
Molecular FormulaC29H30N6O2
Molecular Weight494.60 g/mol
Exact Mass494.24
IUPAC Name3-[2-(dimethylamino)ethoxy]-N-[2,4-dimethyl-5-(6-pyridin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]benzamide
SMILESCc1cc(C)c(-n2ccn3nc(-c4cccnc4)cc23)cc1NC(=O)c1cccc(OCCN(C)C)c1
InChIInChI=1S/C29H30N6O2/c1-20-15-21(2)27(34-11-12-35-28(34)18-26(32-35)23-8-6-10-30-19-23)17-25(20)31-29(36)22-7-5-9-24(16-22)37-14-13-33(3)4/h5-12,15-19H,13-14H2,1-4H3,(H,31,36)
InChIKeyDVDRXOIBCYFBTA-UHFFFAOYSA-N
XLogP5.00
TPSA76.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethoxy]-N-[2,4-dimethyl-5-(6-pyridin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]benzamide?
The IUPAC name of 3-[2-(dimethylamino)ethoxy]-N-[2,4-dimethyl-5-(6-pyridin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]benzamide (CID 71667258) is 3-[2-(dimethylamino)ethoxy]-N-[2,4-dimethyl-5-(6-pyridin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethoxy]-N-[2,4-dimethyl-5-(6-pyridin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 3-[2-(dimethylamino)ethoxy]-N-[2,4-dimethyl-5-(6-pyridin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]benzamide is Cc1cc(C)c(-n2ccn3nc(-c4cccnc4)cc23)cc1NC(=O)c1cccc(OCCN(C)C)c1.
What is the InChIKey of 3-[2-(dimethylamino)ethoxy]-N-[2,4-dimethyl-5-(6-pyridin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]benzamide?
The InChIKey is DVDRXOIBCYFBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O2/c1-20-15-21(2)27(34-11-12-35-28(34)18-26(32-35)23-8-6-10-30-19-23)17-25(20)31-29(36)22-7-5-9-24(16-22)37-14-13-33(3)4/h5-12,15-19H,13-14H2,1-4H3,(H,31,36).
What are the key properties of 3-[2-(dimethylamino)ethoxy]-N-[2,4-dimethyl-5-(6-pyridin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]benzamide?
3-[2-(dimethylamino)ethoxy]-N-[2,4-dimethyl-5-(6-pyridin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]benzamide has a molecular weight of 494.60 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethoxy]-N-[2,4-dimethyl-5-(6-pyridin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 71667258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).