N-methyl-N-[2-[methyl-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide

C26H34N8O2 — CID 166204525

IUPACN-methyl-N-[2-[methyl-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)Cn1ncc2cc(C(=O)N(C)CCN(C)C(=O)c3cnc4c(cnn4CC(C)C)c3)cnc21
InChIInChI=1S/C26H34N8O2/c1-17(2)15-33-23-19(13-29-33)9-21(11-27-23)25(35)31(5)7-8-32(6)26(36)22-10-20-14-30-34(16-18(3)4)24(20)28-12-22/h9-14,17-18H,7-8,15-16H2,1-6H3
InChIKeyBNEFWBHBUOLJQR-UHFFFAOYSA-N
MW490.61 g/mol
LogP3.33
Rot. Bonds9

About N-methyl-N-[2-[methyl-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide

N-methyl-N-[2-[methyl-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 166204525) has the molecular formula C26H34N8O2 and a molecular weight of 490.61 g/mol. Its IUPAC name is N-methyl-N-[2-[methyl-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-[methyl-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID166204525
Molecular FormulaC26H34N8O2
Molecular Weight490.61 g/mol
Exact Mass490.28
IUPAC NameN-methyl-N-[2-[methyl-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)Cn1ncc2cc(C(=O)N(C)CCN(C)C(=O)c3cnc4c(cnn4CC(C)C)c3)cnc21
InChIInChI=1S/C26H34N8O2/c1-17(2)15-33-23-19(13-29-33)9-21(11-27-23)25(35)31(5)7-8-32(6)26(36)22-10-20-14-30-34(16-18(3)4)24(20)28-12-22/h9-14,17-18H,7-8,15-16H2,1-6H3
InChIKeyBNEFWBHBUOLJQR-UHFFFAOYSA-N
XLogP3.33
TPSA102.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-methyl-N-[2-[methyl-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide with MolForge

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Related Compounds

N-[(2R)-2-(dimethylamino)propyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 95280574
N-(2-aminoethyl)-1-(2-methylpropyl)-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 120886892
[1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone
CID 166191038
[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-5-yl]methanone
CID 124589357
N-(3-hydroxy-2,2,4-trimethylpentyl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 109381046
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 120943720
1-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 126769097
N-(1H-indazol-5-yl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 51100658
1-benzyl-N,N-dipropylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 78839414
N-[(4-methoxyphenyl)methyl]-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24641346
1-benzyl-N-methoxy-N-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24688178
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
CID 120884055

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[methyl-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-methyl-N-[2-[methyl-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 166204525) is N-methyl-N-[2-[methyl-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-methyl-N-[2-[methyl-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-methyl-N-[2-[methyl-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide is CC(C)Cn1ncc2cc(C(=O)N(C)CCN(C)C(=O)c3cnc4c(cnn4CC(C)C)c3)cnc21.
What is the InChIKey of N-methyl-N-[2-[methyl-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is BNEFWBHBUOLJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N8O2/c1-17(2)15-33-23-19(13-29-33)9-21(11-27-23)25(35)31(5)7-8-32(6)26(36)22-10-20-14-30-34(16-18(3)4)24(20)28-12-22/h9-14,17-18H,7-8,15-16H2,1-6H3.
What are the key properties of N-methyl-N-[2-[methyl-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
N-methyl-N-[2-[methyl-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 490.61 g/mol, XLogP of 3.33, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[methyl-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 166204525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).