6-chloro-3-[[(1-methylpyrazolo[3,4-b]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one

C17H14ClN5O — CID 122637430

IUPAC6-chloro-3-[[(1-methylpyrazolo[3,4-b]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one
SMILESCn1ncc2cc(NCc3cc4cc(Cl)ccc4[nH]c3=O)cnc21
InChIInChI=1S/C17H14ClN5O/c1-23-16-11(8-21-23)6-14(9-20-16)19-7-12-4-10-5-13(18)2-3-15(10)22-17(12)24/h2-6,8-9,19H,7H2,1H3,(H,22,24)
InChIKeyVXNYHAQANAIDLU-UHFFFAOYSA-N
MW339.79 g/mol
LogP3.08
Rot. Bonds3

About 6-chloro-3-[[(1-methylpyrazolo[3,4-b]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one

6-chloro-3-[[(1-methylpyrazolo[3,4-b]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one (PubChem CID 122637430) has the molecular formula C17H14ClN5O and a molecular weight of 339.79 g/mol. Its IUPAC name is 6-chloro-3-[[(1-methylpyrazolo[3,4-b]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[[(1-methylpyrazolo[3,4-b]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one
PubChem CID122637430
Molecular FormulaC17H14ClN5O
Molecular Weight339.79 g/mol
Exact Mass339.09
IUPAC Name6-chloro-3-[[(1-methylpyrazolo[3,4-b]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one
SMILESCn1ncc2cc(NCc3cc4cc(Cl)ccc4[nH]c3=O)cnc21
InChIInChI=1S/C17H14ClN5O/c1-23-16-11(8-21-23)6-14(9-20-16)19-7-12-4-10-5-13(18)2-3-15(10)22-17(12)24/h2-6,8-9,19H,7H2,1H3,(H,22,24)
InChIKeyVXNYHAQANAIDLU-UHFFFAOYSA-N
XLogP3.08
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-3-[[(1-methylpyrazolo[3,4-b]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3-methyl-1,3-benzoxazol-2-one
CID 122637378
6-chloro-3-[(1H-indazol-6-ylamino)methyl]-1H-quinolin-2-one
CID 122637226
3-[(4-chloroanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 25318659
3-[(1,2,3-benzoxadiazol-6-ylamino)methyl]-6-chloro-1H-quinolin-2-one
CID 122637212
6-chloro-3-[[(1-methyl-2-oxo-3H-pyrrolo[2,3-c]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one
CID 122637348
5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3H-1,3-benzoxazol-2-one
CID 122637274
6-chloro-3-[(2-fluoroanilino)methyl]-1H-quinolin-2-one
CID 118955702
6-chloro-3-[[(3-oxo-1H-2-benzofuran-5-yl)amino]methyl]-1H-quinolin-2-one
CID 122637068
6-chloro-3-[[(4-methoxy-1-benzofuran-6-yl)amino]methyl]-1H-quinolin-2-one
CID 122637181
6-chloro-3-[[(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)amino]methyl]-1H-quinolin-2-one
CID 122637234
6-chloro-3-[[[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]amino]methyl]-1H-quinolin-2-one
CID 118955448
6-chloro-3-[(1,6-naphthyridin-2-ylamino)methyl]-1H-quinolin-2-one
CID 122637271

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[(1-methylpyrazolo[3,4-b]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[[(1-methylpyrazolo[3,4-b]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one (CID 122637430) is 6-chloro-3-[[(1-methylpyrazolo[3,4-b]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[[(1-methylpyrazolo[3,4-b]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[[(1-methylpyrazolo[3,4-b]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one is Cn1ncc2cc(NCc3cc4cc(Cl)ccc4[nH]c3=O)cnc21.
What is the InChIKey of 6-chloro-3-[[(1-methylpyrazolo[3,4-b]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one?
The InChIKey is VXNYHAQANAIDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O/c1-23-16-11(8-21-23)6-14(9-20-16)19-7-12-4-10-5-13(18)2-3-15(10)22-17(12)24/h2-6,8-9,19H,7H2,1H3,(H,22,24).
What are the key properties of 6-chloro-3-[[(1-methylpyrazolo[3,4-b]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one?
6-chloro-3-[[(1-methylpyrazolo[3,4-b]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one has a molecular weight of 339.79 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[(1-methylpyrazolo[3,4-b]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 122637430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).