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

C17H18ClN5O — CID 71091692

IUPAC[4-[5-(2-chlorophenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine
SMILESNCC1CN(c2c(-c3ccccc3Cl)cnc3[nH]ncc23)CCO1
InChIInChI=1S/C17H18ClN5O/c18-15-4-2-1-3-12(15)13-8-20-17-14(9-21-22-17)16(13)23-5-6-24-11(7-19)10-23/h1-4,8-9,11H,5-7,10,19H2,(H,20,21,22)
InChIKeyRKQQGLQVKDHLFO-UHFFFAOYSA-N
MW343.82 g/mol
LogP2.44
Rot. Bonds3

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

[4-[5-(2-chlorophenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine (PubChem CID 71091692) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is [4-[5-(2-chlorophenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[5-(2-chlorophenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine
PubChem CID71091692
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC Name[4-[5-(2-chlorophenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine
SMILESNCC1CN(c2c(-c3ccccc3Cl)cnc3[nH]ncc23)CCO1
InChIInChI=1S/C17H18ClN5O/c18-15-4-2-1-3-12(15)13-8-20-17-14(9-21-22-17)16(13)23-5-6-24-11(7-19)10-23/h1-4,8-9,11H,5-7,10,19H2,(H,20,21,22)
InChIKeyRKQQGLQVKDHLFO-UHFFFAOYSA-N
XLogP2.44
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[5-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine
CID 71091776
[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
[4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine
CID 61337016
[4-(1,3-benzoxazol-2-yl)morpholin-2-yl]methanamine
CID 61338953
6-(2-ethylmorpholin-4-yl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 137272058
2-[2-(aminomethyl)morpholin-4-yl]-6-chlorobenzamide
CID 114399438
(2R)-2-(4-chlorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 94032612
(2R)-4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide
CID 97350829
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
(4-thieno[3,2-c]pyridin-4-ylmorpholin-2-yl)methanamine
CID 61338182

Frequently Asked Questions

What is the IUPAC name of [4-[5-(2-chlorophenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine?
The IUPAC name of [4-[5-(2-chlorophenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine (CID 71091692) is [4-[5-(2-chlorophenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine.
What is the SMILES notation for [4-[5-(2-chlorophenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine?
The canonical SMILES for [4-[5-(2-chlorophenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine is NCC1CN(c2c(-c3ccccc3Cl)cnc3[nH]ncc23)CCO1.
What is the InChIKey of [4-[5-(2-chlorophenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine?
The InChIKey is RKQQGLQVKDHLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O/c18-15-4-2-1-3-12(15)13-8-20-17-14(9-21-22-17)16(13)23-5-6-24-11(7-19)10-23/h1-4,8-9,11H,5-7,10,19H2,(H,20,21,22).
What are the key properties of [4-[5-(2-chlorophenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine?
[4-[5-(2-chlorophenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine has a molecular weight of 343.82 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(2-chlorophenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine is sourced from PubChem (CID 71091692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).