1-butan-2-yl-N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide

C23H38N6O — CID 86877253

IUPAC1-butan-2-yl-N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCC(C)n1ncc2c(C(=O)N(CCN(C)C)CC3CCCN3CC)cc(C)nc21
InChIInChI=1S/C23H38N6O/c1-7-18(4)29-22-21(15-24-29)20(14-17(3)25-22)23(30)28(13-12-26(5)6)16-19-10-9-11-27(19)8-2/h14-15,18-19H,7-13,16H2,1-6H3
InChIKeyGXYNVLLGQIFTPF-UHFFFAOYSA-N
MW414.60 g/mol
LogP3.20
Rot. Bonds9

About 1-butan-2-yl-N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide

1-butan-2-yl-N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 86877253) has the molecular formula C23H38N6O and a molecular weight of 414.60 g/mol. Its IUPAC name is 1-butan-2-yl-N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-butan-2-yl-N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID86877253
Molecular FormulaC23H38N6O
Molecular Weight414.60 g/mol
Exact Mass414.31
IUPAC Name1-butan-2-yl-N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCC(C)n1ncc2c(C(=O)N(CCN(C)C)CC3CCCN3CC)cc(C)nc21
InChIInChI=1S/C23H38N6O/c1-7-18(4)29-22-21(15-24-29)20(14-17(3)25-22)23(30)28(13-12-26(5)6)16-19-10-9-11-27(19)8-2/h14-15,18-19H,7-13,16H2,1-6H3
InChIKeyGXYNVLLGQIFTPF-UHFFFAOYSA-N
XLogP3.20
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.60
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R)-butan-2-yl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 28842366
1-[(2S)-butan-2-yl]-6-methyl-N,N-bis(prop-2-enyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 95152320
(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 110921318
3-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 120516403
(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111429817
(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560611
1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 119349273
N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylpyridine-3-carboxamide
CID 51105924
(2R)-1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 120537402
1-butan-2-yl-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 119510814
(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119395659
1-butan-2-yl-6-methyl-N-(piperidin-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 119460822

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-butan-2-yl-N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 86877253) is 1-butan-2-yl-N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-butan-2-yl-N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-butan-2-yl-N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide is CCC(C)n1ncc2c(C(=O)N(CCN(C)C)CC3CCCN3CC)cc(C)nc21.
What is the InChIKey of 1-butan-2-yl-N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is GXYNVLLGQIFTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N6O/c1-7-18(4)29-22-21(15-24-29)20(14-17(3)25-22)23(30)28(13-12-26(5)6)16-19-10-9-11-27(19)8-2/h14-15,18-19H,7-13,16H2,1-6H3.
What are the key properties of 1-butan-2-yl-N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide?
1-butan-2-yl-N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 414.60 g/mol, XLogP of 3.20, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 86877253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).