4-morpholin-4-yl-N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide

C21H24N6O3 — CID 67064614

IUPAC4-morpholin-4-yl-N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
SMILESO=C(Nc1cc(N2CCOCC2)n2nccc2n1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H24N6O3/c28-21(16-1-3-17(4-2-16)25-7-11-29-12-8-25)24-18-15-20(26-9-13-30-14-10-26)27-19(23-18)5-6-22-27/h1-6,15H,7-14H2,(H,23,24,28)
InChIKeyBKAFCJJBVOYFII-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.65
Rot. Bonds4

About 4-morpholin-4-yl-N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide

4-morpholin-4-yl-N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide (PubChem CID 67064614) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name4-morpholin-4-yl-N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
PubChem CID67064614
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC Name4-morpholin-4-yl-N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
SMILESO=C(Nc1cc(N2CCOCC2)n2nccc2n1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H24N6O3/c28-21(16-1-3-17(4-2-16)25-7-11-29-12-8-25)24-18-15-20(26-9-13-30-14-10-26)27-19(23-18)5-6-22-27/h1-6,15H,7-14H2,(H,23,24,28)
InChIKeyBKAFCJJBVOYFII-UHFFFAOYSA-N
XLogP1.65
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-thiophen-2-ylbenzamide
CID 67064569
3-methyl-N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
CID 67064544
N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(5-oxo-4H-1,4-thiazin-3-yl)benzamide
CID 67064515
N-[7-[3-(dimethylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide
CID 67064055
(3S)-1-[5-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide
CID 67064280
methyl 4-[2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetyl]benzoate
CID 58207276
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
1-(1H-indol-6-yl)-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone
CID 58206964
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418
2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-pyridin-2-ylethanone
CID 58207077
N-(2,4-difluorophenyl)-4-morpholin-4-ylbenzamide
CID 53282259
2-chloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-4-carboxamide
CID 33447939

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide?
The IUPAC name of 4-morpholin-4-yl-N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide (CID 67064614) is 4-morpholin-4-yl-N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide.
What is the SMILES notation for 4-morpholin-4-yl-N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide?
The canonical SMILES for 4-morpholin-4-yl-N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide is O=C(Nc1cc(N2CCOCC2)n2nccc2n1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 4-morpholin-4-yl-N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide?
The InChIKey is BKAFCJJBVOYFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c28-21(16-1-3-17(4-2-16)25-7-11-29-12-8-25)24-18-15-20(26-9-13-30-14-10-26)27-19(23-18)5-6-22-27/h1-6,15H,7-14H2,(H,23,24,28).
What are the key properties of 4-morpholin-4-yl-N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide?
4-morpholin-4-yl-N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide has a molecular weight of 408.46 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide is sourced from PubChem (CID 67064614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).