N-(2-morpholin-4-ylethyl)-4-[7-(2-thiophen-2-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide

C25H28N6O2S — CID 169196849

IUPACN-(2-morpholin-4-ylethyl)-4-[7-(2-thiophen-2-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
SMILESO=C(NCCN1CCOCC1)c1ccc(-c2cnn3c(NCCc4cccs4)ccnc23)cc1
InChIInChI=1S/C25H28N6O2S/c32-25(28-11-12-30-13-15-33-16-14-30)20-5-3-19(4-6-20)22-18-29-31-23(8-10-27-24(22)31)26-9-7-21-2-1-17-34-21/h1-6,8,10,17-18,26H,7,9,11-16H2,(H,28,32)
InChIKeyQDEZVKDZSIETDY-UHFFFAOYSA-N
MW476.61 g/mol
LogP3.17
Rot. Bonds9

About N-(2-morpholin-4-ylethyl)-4-[7-(2-thiophen-2-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide

N-(2-morpholin-4-ylethyl)-4-[7-(2-thiophen-2-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide (PubChem CID 169196849) has the molecular formula C25H28N6O2S and a molecular weight of 476.61 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-4-[7-(2-thiophen-2-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-4-[7-(2-thiophen-2-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
PubChem CID169196849
Molecular FormulaC25H28N6O2S
Molecular Weight476.61 g/mol
Exact Mass476.20
IUPAC NameN-(2-morpholin-4-ylethyl)-4-[7-(2-thiophen-2-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
SMILESO=C(NCCN1CCOCC1)c1ccc(-c2cnn3c(NCCc4cccs4)ccnc23)cc1
InChIInChI=1S/C25H28N6O2S/c32-25(28-11-12-30-13-15-33-16-14-30)20-5-3-19(4-6-20)22-18-29-31-23(8-10-27-24(22)31)26-9-7-21-2-1-17-34-21/h1-6,8,10,17-18,26H,7,9,11-16H2,(H,28,32)
InChIKeyQDEZVKDZSIETDY-UHFFFAOYSA-N
XLogP3.17
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.61
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 126472969
3-(3,4-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 126475082
4-isoquinolin-1-yl-N-(2-morpholin-4-ylethyl)benzamide
CID 57383478
N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylpyridine-4-carboxamide
CID 53119696
N-(3-morpholin-4-ylpropyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416688
N-(3-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 126473906
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
7-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42873250
2-[4-(cyclopropylcarbamoyl)phenyl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 117088266
3-imidazo[1,2-b]pyridazin-3-yl-N-(2-morpholin-4-ylethyl)benzamide
CID 122562053
N-(2-morpholin-4-ylethyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109154118
4-N-(2-morpholin-4-ylethyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19154001

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-4-[7-(2-thiophen-2-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-4-[7-(2-thiophen-2-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide (CID 169196849) is N-(2-morpholin-4-ylethyl)-4-[7-(2-thiophen-2-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-4-[7-(2-thiophen-2-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-4-[7-(2-thiophen-2-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide is O=C(NCCN1CCOCC1)c1ccc(-c2cnn3c(NCCc4cccs4)ccnc23)cc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-4-[7-(2-thiophen-2-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
The InChIKey is QDEZVKDZSIETDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2S/c32-25(28-11-12-30-13-15-33-16-14-30)20-5-3-19(4-6-20)22-18-29-31-23(8-10-27-24(22)31)26-9-7-21-2-1-17-34-21/h1-6,8,10,17-18,26H,7,9,11-16H2,(H,28,32).
What are the key properties of N-(2-morpholin-4-ylethyl)-4-[7-(2-thiophen-2-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
N-(2-morpholin-4-ylethyl)-4-[7-(2-thiophen-2-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide has a molecular weight of 476.61 g/mol, XLogP of 3.17, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-4-[7-(2-thiophen-2-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide is sourced from PubChem (CID 169196849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).