[4-[5-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine

C15H16ClN5OS — CID 71091776

IUPAC[4-[5-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine
SMILESNCC1CN(c2c(-c3ccc(Cl)s3)cnc3[nH]ncc23)CCO1
InChIInChI=1S/C15H16ClN5OS/c16-13-2-1-12(23-13)10-6-18-15-11(7-19-20-15)14(10)21-3-4-22-9(5-17)8-21/h1-2,6-7,9H,3-5,8,17H2,(H,18,19,20)
InChIKeyNZEYDQJOZUIVPG-UHFFFAOYSA-N
MW349.85 g/mol
LogP2.50
Rot. Bonds3

About [4-[5-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine

[4-[5-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine (PubChem CID 71091776) has the molecular formula C15H16ClN5OS and a molecular weight of 349.85 g/mol. Its IUPAC name is [4-[5-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[5-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine
PubChem CID71091776
Molecular FormulaC15H16ClN5OS
Molecular Weight349.85 g/mol
Exact Mass349.08
IUPAC Name[4-[5-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine
SMILESNCC1CN(c2c(-c3ccc(Cl)s3)cnc3[nH]ncc23)CCO1
InChIInChI=1S/C15H16ClN5OS/c16-13-2-1-12(23-13)10-6-18-15-11(7-19-20-15)14(10)21-3-4-22-9(5-17)8-21/h1-2,6-7,9H,3-5,8,17H2,(H,18,19,20)
InChIKeyNZEYDQJOZUIVPG-UHFFFAOYSA-N
XLogP2.50
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.85
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-[5-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine with MolForge

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Related Compounds

[4-[5-(2-chlorophenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine
CID 71091692
[4-[5-[4-(hydroxy-methyl-morpholin-4-yl-oxo-λ6-sulfanyl)phenyl]-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine
CID 143698255
7-[2-(aminomethyl)morpholin-4-yl]-6-phenyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 69168398
(2R)-2-(4-chlorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 94032612
ethane;[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine
CID 143698287
[4-(5-chloro-3-fluoro-2-pyridinyl)morpholin-2-yl]methanamine
CID 79718053
6-(2-ethylmorpholin-4-yl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 137272058
7-[2-(aminomethyl)morpholin-4-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282684
(4-thieno[3,2-c]pyridin-4-ylmorpholin-2-yl)methanamine
CID 61338182
[4-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholin-2-yl]methanamine
CID 116976332
[4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholin-2-yl]methanamine
CID 59829603
[4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]methanamine
CID 65209424

Frequently Asked Questions

What is the IUPAC name of [4-[5-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine?
The IUPAC name of [4-[5-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine (CID 71091776) is [4-[5-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine.
What is the SMILES notation for [4-[5-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine?
The canonical SMILES for [4-[5-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine is NCC1CN(c2c(-c3ccc(Cl)s3)cnc3[nH]ncc23)CCO1.
What is the InChIKey of [4-[5-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine?
The InChIKey is NZEYDQJOZUIVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5OS/c16-13-2-1-12(23-13)10-6-18-15-11(7-19-20-15)14(10)21-3-4-22-9(5-17)8-21/h1-2,6-7,9H,3-5,8,17H2,(H,18,19,20).
What are the key properties of [4-[5-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine?
[4-[5-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine has a molecular weight of 349.85 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine is sourced from PubChem (CID 71091776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).