N-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine

C20H19N5OS — CID 59662257

IUPACN-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1csc(-c2cnn3ccc(Nc4ccc(N5CCOCC5)cc4)nc23)c1
InChIInChI=1S/C20H19N5OS/c1-2-18(27-13-1)17-14-21-25-8-7-19(23-20(17)25)22-15-3-5-16(6-4-15)24-9-11-26-12-10-24/h1-8,13-14H,9-12H2,(H,22,23)
InChIKeyQMVSVIRXMRQENG-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.04
Rot. Bonds4

About N-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine

N-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 59662257) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID59662257
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC NameN-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1csc(-c2cnn3ccc(Nc4ccc(N5CCOCC5)cc4)nc23)c1
InChIInChI=1S/C20H19N5OS/c1-2-18(27-13-1)17-14-21-25-8-7-19(23-20(17)25)22-15-3-5-16(6-4-15)24-9-11-26-12-10-24/h1-8,13-14H,9-12H2,(H,22,23)
InChIKeyQMVSVIRXMRQENG-UHFFFAOYSA-N
XLogP4.04
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-propan-2-ylphenyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 59662540
3-(4-morpholin-4-ylphenyl)-N-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 59662248
3-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 59662513
N-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 18136368
4-morpholin-4-yl-N-phenylaniline
CID 159018746
3-methyl-N-(4-morpholin-4-ylphenyl)thiophen-2-amine
CID 174739915
6-chloro-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine
CID 60674960
2-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)thieno[2,3-b]pyridin-6-amine
CID 148987412
3-(1-methylpyrazol-4-yl)-N-(4-nitrosophenyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 89301431
N-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylbenzamide
CID 117093174
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 31046848
4-(5-amino-1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 117078839

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine (CID 59662257) is N-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine is c1csc(-c2cnn3ccc(Nc4ccc(N5CCOCC5)cc4)nc23)c1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is QMVSVIRXMRQENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c1-2-18(27-13-1)17-14-21-25-8-7-19(23-20(17)25)22-15-3-5-16(6-4-15)24-9-11-26-12-10-24/h1-8,13-14H,9-12H2,(H,22,23).
What are the key properties of N-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine?
N-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 377.47 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 59662257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).