N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(5-oxo-4H-1,4-thiazin-3-yl)benzamide

C21H20N6O3S — CID 67064515

IUPACN-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(5-oxo-4H-1,4-thiazin-3-yl)benzamide
SMILESO=C1CSC=C(c2ccc(C(=O)Nc3cc(N4CCOCC4)n4nccc4n3)cc2)N1
InChIInChI=1S/C21H20N6O3S/c28-19-13-31-12-16(23-19)14-1-3-15(4-2-14)21(29)25-17-11-20(26-7-9-30-10-8-26)27-18(24-17)5-6-22-27/h1-6,11-12H,7-10,13H2,(H,23,28)(H,24,25,29)
InChIKeyLEGRMELORXPULR-UHFFFAOYSA-N
MW436.50 g/mol
LogP1.98
Rot. Bonds4

About N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(5-oxo-4H-1,4-thiazin-3-yl)benzamide

N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(5-oxo-4H-1,4-thiazin-3-yl)benzamide (PubChem CID 67064515) has the molecular formula C21H20N6O3S and a molecular weight of 436.50 g/mol. Its IUPAC name is N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(5-oxo-4H-1,4-thiazin-3-yl)benzamide.

Molecular Properties

Compound NameN-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(5-oxo-4H-1,4-thiazin-3-yl)benzamide
PubChem CID67064515
Molecular FormulaC21H20N6O3S
Molecular Weight436.50 g/mol
Exact Mass436.13
IUPAC NameN-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(5-oxo-4H-1,4-thiazin-3-yl)benzamide
SMILESO=C1CSC=C(c2ccc(C(=O)Nc3cc(N4CCOCC4)n4nccc4n3)cc2)N1
InChIInChI=1S/C21H20N6O3S/c28-19-13-31-12-16(23-19)14-1-3-15(4-2-14)21(29)25-17-11-20(26-7-9-30-10-8-26)27-18(24-17)5-6-22-27/h1-6,11-12H,7-10,13H2,(H,23,28)(H,24,25,29)
InChIKeyLEGRMELORXPULR-UHFFFAOYSA-N
XLogP1.98
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.50
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-morpholin-4-yl-N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
CID 67064614
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
4-(2-hydroxypropan-2-yl)-N-(7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
CID 143873056
4-tert-butyl-N-[7-[3-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide
CID 70961385
N-[7-[3-(dimethylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide
CID 67064055
methyl 4-[2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetyl]benzoate
CID 58207276
N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[(3-oxo-4H-1,4-benzoxazin-8-yl)methyl]piperidine-3-carboxamide
CID 67064759
(3S)-1-[5-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide
CID 67064280
1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone
CID 58206932
1-(1H-indol-6-yl)-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone
CID 58206964
N-(4-morpholin-4-ylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 7922294

Frequently Asked Questions

What is the IUPAC name of N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(5-oxo-4H-1,4-thiazin-3-yl)benzamide?
The IUPAC name of N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(5-oxo-4H-1,4-thiazin-3-yl)benzamide (CID 67064515) is N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(5-oxo-4H-1,4-thiazin-3-yl)benzamide.
What is the SMILES notation for N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(5-oxo-4H-1,4-thiazin-3-yl)benzamide?
The canonical SMILES for N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(5-oxo-4H-1,4-thiazin-3-yl)benzamide is O=C1CSC=C(c2ccc(C(=O)Nc3cc(N4CCOCC4)n4nccc4n3)cc2)N1.
What is the InChIKey of N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(5-oxo-4H-1,4-thiazin-3-yl)benzamide?
The InChIKey is LEGRMELORXPULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3S/c28-19-13-31-12-16(23-19)14-1-3-15(4-2-14)21(29)25-17-11-20(26-7-9-30-10-8-26)27-18(24-17)5-6-22-27/h1-6,11-12H,7-10,13H2,(H,23,28)(H,24,25,29).
What are the key properties of N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(5-oxo-4H-1,4-thiazin-3-yl)benzamide?
N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(5-oxo-4H-1,4-thiazin-3-yl)benzamide has a molecular weight of 436.50 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(5-oxo-4H-1,4-thiazin-3-yl)benzamide is sourced from PubChem (CID 67064515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).