4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-2-thiophen-2-ylmorpholine

C19H17N5OS — CID 133363467

IUPAC4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-2-thiophen-2-ylmorpholine
SMILESc1ccc(-n2ncc3c(N4CCOC(c5cccs5)C4)ncnc32)cc1
InChIInChI=1S/C19H17N5OS/c1-2-5-14(6-3-1)24-19-15(11-22-24)18(20-13-21-19)23-8-9-25-16(12-23)17-7-4-10-26-17/h1-7,10-11,13,16H,8-9,12H2
InChIKeyNSRVCBBQGCEYJT-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.45
Rot. Bonds3

About 4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-2-thiophen-2-ylmorpholine

4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-2-thiophen-2-ylmorpholine (PubChem CID 133363467) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is 4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-2-thiophen-2-ylmorpholine.

Molecular Properties

Compound Name4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-2-thiophen-2-ylmorpholine
PubChem CID133363467
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC Name4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-2-thiophen-2-ylmorpholine
SMILESc1ccc(-n2ncc3c(N4CCOC(c5cccs5)C4)ncnc32)cc1
InChIInChI=1S/C19H17N5OS/c1-2-5-14(6-3-1)24-19-15(11-22-24)18(20-13-21-19)23-8-9-25-16(12-23)17-7-4-10-26-17/h1-7,10-11,13,16H,8-9,12H2
InChIKeyNSRVCBBQGCEYJT-UHFFFAOYSA-N
XLogP3.45
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-2-thiophen-2-ylmorpholine?
The IUPAC name of 4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-2-thiophen-2-ylmorpholine (CID 133363467) is 4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-2-thiophen-2-ylmorpholine.
What is the SMILES notation for 4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-2-thiophen-2-ylmorpholine?
The canonical SMILES for 4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-2-thiophen-2-ylmorpholine is c1ccc(-n2ncc3c(N4CCOC(c5cccs5)C4)ncnc32)cc1.
What is the InChIKey of 4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-2-thiophen-2-ylmorpholine?
The InChIKey is NSRVCBBQGCEYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-2-5-14(6-3-1)24-19-15(11-22-24)18(20-13-21-19)23-8-9-25-16(12-23)17-7-4-10-26-17/h1-7,10-11,13,16H,8-9,12H2.
What are the key properties of 4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-2-thiophen-2-ylmorpholine?
4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-2-thiophen-2-ylmorpholine has a molecular weight of 363.45 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-2-thiophen-2-ylmorpholine is sourced from PubChem (CID 133363467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).