N-[2-(dimethylamino)ethyl]-3-[5-(3,4,5-trimethoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide

C26H30N6O4 — CID 59662251

IUPACN-[2-(dimethylamino)ethyl]-3-[5-(3,4,5-trimethoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
SMILESCOc1cc(Nc2ccn3ncc(-c4cccc(C(=O)NCCN(C)C)c4)c3n2)cc(OC)c1OC
InChIInChI=1S/C26H30N6O4/c1-31(2)12-10-27-26(33)18-8-6-7-17(13-18)20-16-28-32-11-9-23(30-25(20)32)29-19-14-21(34-3)24(36-5)22(15-19)35-4/h6-9,11,13-16H,10,12H2,1-5H3,(H,27,33)(H,29,30)
InChIKeyWHHAKKFRQTZMFV-UHFFFAOYSA-N
MW490.56 g/mol
LogP3.46
Rot. Bonds10

About N-[2-(dimethylamino)ethyl]-3-[5-(3,4,5-trimethoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide

N-[2-(dimethylamino)ethyl]-3-[5-(3,4,5-trimethoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide (PubChem CID 59662251) has the molecular formula C26H30N6O4 and a molecular weight of 490.56 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[5-(3,4,5-trimethoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-[5-(3,4,5-trimethoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
PubChem CID59662251
Molecular FormulaC26H30N6O4
Molecular Weight490.56 g/mol
Exact Mass490.23
IUPAC NameN-[2-(dimethylamino)ethyl]-3-[5-(3,4,5-trimethoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
SMILESCOc1cc(Nc2ccn3ncc(-c4cccc(C(=O)NCCN(C)C)c4)c3n2)cc(OC)c1OC
InChIInChI=1S/C26H30N6O4/c1-31(2)12-10-27-26(33)18-8-6-7-17(13-18)20-16-28-32-11-9-23(30-25(20)32)29-19-14-21(34-3)24(36-5)22(15-19)35-4/h6-9,11,13-16H,10,12H2,1-5H3,(H,27,33)(H,29,30)
InChIKeyWHHAKKFRQTZMFV-UHFFFAOYSA-N
XLogP3.46
TPSA102.25 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N,3-bis(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 24866388
N-(3,4-dimethoxy-5-methylphenyl)-3-(3-prop-1-en-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 143598102
3-(2,3-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 59662501
4-[5-(3,4-dimethoxy-5-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 71150937
3-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 59662513
N-[2-(dimethylamino)ethyl]-3-[5-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 68945225
N-[3-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine
CID 59662460
N-(2-aminoethyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide
CID 11465388
N-[2-(dimethylamino)ethyl]-3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 44554853
N-[3-(dimethylamino)propyl]-3-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44623508
CID 156831484
CID 156831484
4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(dimethylamino)ethyl]benzamide
CID 44553802

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[5-(3,4,5-trimethoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[5-(3,4,5-trimethoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide (CID 59662251) is N-[2-(dimethylamino)ethyl]-3-[5-(3,4,5-trimethoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[5-(3,4,5-trimethoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[5-(3,4,5-trimethoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide is COc1cc(Nc2ccn3ncc(-c4cccc(C(=O)NCCN(C)C)c4)c3n2)cc(OC)c1OC.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[5-(3,4,5-trimethoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
The InChIKey is WHHAKKFRQTZMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O4/c1-31(2)12-10-27-26(33)18-8-6-7-17(13-18)20-16-28-32-11-9-23(30-25(20)32)29-19-14-21(34-3)24(36-5)22(15-19)35-4/h6-9,11,13-16H,10,12H2,1-5H3,(H,27,33)(H,29,30).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-[5-(3,4,5-trimethoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
N-[2-(dimethylamino)ethyl]-3-[5-(3,4,5-trimethoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide has a molecular weight of 490.56 g/mol, XLogP of 3.46, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-[5-(3,4,5-trimethoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide is sourced from PubChem (CID 59662251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).