N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-2-phenylmethoxyacetamide

C36H29N5O3 — CID 134320138

IUPACN-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-2-phenylmethoxyacetamide
SMILESO=C(COCc1ccccc1)NC1=C(c2ccc3ncccc3c2)C(=O)N2NC(c3ccccc3)C(c3ccccc3)=C2N1
InChIInChI=1S/C36H29N5O3/c42-30(23-44-22-24-11-4-1-5-12-24)38-34-32(28-18-19-29-27(21-28)17-10-20-37-29)36(43)41-35(39-34)31(25-13-6-2-7-14-25)33(40-41)26-15-8-3-9-16-26/h1-21,33,39-40H,22-23H2,(H,38,42)
InChIKeyPLEDVGMCBXAZPT-UHFFFAOYSA-N
MW579.66 g/mol
LogP5.30
Rot. Bonds8

About N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-2-phenylmethoxyacetamide

N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-2-phenylmethoxyacetamide (PubChem CID 134320138) has the molecular formula C36H29N5O3 and a molecular weight of 579.66 g/mol. Its IUPAC name is N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-2-phenylmethoxyacetamide
PubChem CID134320138
Molecular FormulaC36H29N5O3
Molecular Weight579.66 g/mol
Exact Mass579.23
IUPAC NameN-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-2-phenylmethoxyacetamide
SMILESO=C(COCc1ccccc1)NC1=C(c2ccc3ncccc3c2)C(=O)N2NC(c3ccccc3)C(c3ccccc3)=C2N1
InChIInChI=1S/C36H29N5O3/c42-30(23-44-22-24-11-4-1-5-12-24)38-34-32(28-18-19-29-27(21-28)17-10-20-37-29)36(43)41-35(39-34)31(25-13-6-2-7-14-25)33(40-41)26-15-8-3-9-16-26/h1-21,33,39-40H,22-23H2,(H,38,42)
InChIKeyPLEDVGMCBXAZPT-UHFFFAOYSA-N
XLogP5.30
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.66
LogP ≤ 55.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-2-phenylmethoxyacetamide?
The IUPAC name of N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-2-phenylmethoxyacetamide (CID 134320138) is N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-2-phenylmethoxyacetamide.
What is the SMILES notation for N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-2-phenylmethoxyacetamide?
The canonical SMILES for N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-2-phenylmethoxyacetamide is O=C(COCc1ccccc1)NC1=C(c2ccc3ncccc3c2)C(=O)N2NC(c3ccccc3)C(c3ccccc3)=C2N1.
What is the InChIKey of N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-2-phenylmethoxyacetamide?
The InChIKey is PLEDVGMCBXAZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29N5O3/c42-30(23-44-22-24-11-4-1-5-12-24)38-34-32(28-18-19-29-27(21-28)17-10-20-37-29)36(43)41-35(39-34)31(25-13-6-2-7-14-25)33(40-41)26-15-8-3-9-16-26/h1-21,33,39-40H,22-23H2,(H,38,42).
What are the key properties of N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-2-phenylmethoxyacetamide?
N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-2-phenylmethoxyacetamide has a molecular weight of 579.66 g/mol, XLogP of 5.30, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-2-phenylmethoxyacetamide is sourced from PubChem (CID 134320138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).