1-tert-butyl-N-[2-(dimethylamino)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C17H27N5O — CID 166626713

IUPAC1-tert-butyl-N-[2-(dimethylamino)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCN(C)C)c2c(C)nn(C(C)(C)C)c2n1
InChIInChI=1S/C17H27N5O/c1-11-10-13(16(23)18-8-9-21(6)7)14-12(2)20-22(15(14)19-11)17(3,4)5/h10H,8-9H2,1-7H3,(H,18,23)
InChIKeyBBVOUNVCQQGSNZ-UHFFFAOYSA-N
MW317.44 g/mol
LogP2.09
Rot. Bonds4

About 1-tert-butyl-N-[2-(dimethylamino)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

1-tert-butyl-N-[2-(dimethylamino)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 166626713) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-tert-butyl-N-[2-(dimethylamino)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[2-(dimethylamino)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID166626713
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name1-tert-butyl-N-[2-(dimethylamino)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCN(C)C)c2c(C)nn(C(C)(C)C)c2n1
InChIInChI=1S/C17H27N5O/c1-11-10-13(16(23)18-8-9-21(6)7)14-12(2)20-22(15(14)19-11)17(3,4)5/h10H,8-9H2,1-7H3,(H,18,23)
InChIKeyBBVOUNVCQQGSNZ-UHFFFAOYSA-N
XLogP2.09
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(dimethylamino)-4-((methylamino)methyl)-2-(6-(4-(propan-2-yl)-4H-1,2,4-triazol-3-yl)pyridin-2-yl)-1H,2H,3H-pyrrolo(3,4-c)pyridin-1-one
CID 146572046
6-[methyl(propan-2-yl)amino]-2-[6-(5-methyl-4-propyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl]-4-[(methylamino)methyl]-1H,2H,3H-pyrrolo[3,4-c]pyridin-1-one
CID 146572180
Jqez5
CID 121322599
US11142525, Example 46
CID 146572044
2-[(4-Methyl-1-piperazinyl)carbonyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1015601
(5,7-Diphenylpyrazolo[1,5-a]pyrimidin-2-yl)(4-methylpiperazin-1-yl)methanone
CID 1050346
3-bromo-N-butyl-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1921960
3-chloro-5-phenyl-N-propyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1733314
(4S)-N,2,3-trimethyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}imidazo[1,2-b]pyridazine-8-carboxamide
CID 75201281
5-phenyl-N-propyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1924550
3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-phenylethyl)propanamide
CID 16008453
N-[2-(3-methylphenyl)ethyl]-3-(2,4,8,10-tetramethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)propanamide
CID 16012252

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[2-(dimethylamino)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-tert-butyl-N-[2-(dimethylamino)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 166626713) is 1-tert-butyl-N-[2-(dimethylamino)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[2-(dimethylamino)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[2-(dimethylamino)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCCN(C)C)c2c(C)nn(C(C)(C)C)c2n1.
What is the InChIKey of 1-tert-butyl-N-[2-(dimethylamino)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is BBVOUNVCQQGSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-11-10-13(16(23)18-8-9-21(6)7)14-12(2)20-22(15(14)19-11)17(3,4)5/h10H,8-9H2,1-7H3,(H,18,23).
What are the key properties of 1-tert-butyl-N-[2-(dimethylamino)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
1-tert-butyl-N-[2-(dimethylamino)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[2-(dimethylamino)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 166626713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).