1,3,6-trimethyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide

C18H28N6O — CID 95314902

IUPAC1,3,6-trimethyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC[C@H](C)N2CCN(C)CC2)c2c(C)nn(C)c2n1
InChIInChI=1S/C18H28N6O/c1-12-10-15(16-14(3)21-23(5)17(16)20-12)18(25)19-11-13(2)24-8-6-22(4)7-9-24/h10,13H,6-9,11H2,1-5H3,(H,19,25)/t13-/m0/s1
InChIKeyBBGUVMRVCOSBMB-ZDUSSCGKSA-N
MW344.46 g/mol
LogP0.95
Rot. Bonds4

About 1,3,6-trimethyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide

1,3,6-trimethyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 95314902) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is 1,3,6-trimethyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1,3,6-trimethyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID95314902
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name1,3,6-trimethyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC[C@H](C)N2CCN(C)CC2)c2c(C)nn(C)c2n1
InChIInChI=1S/C18H28N6O/c1-12-10-15(16-14(3)21-23(5)17(16)20-12)18(25)19-11-13(2)24-8-6-22(4)7-9-24/h10,13H,6-9,11H2,1-5H3,(H,19,25)/t13-/m0/s1
InChIKeyBBGUVMRVCOSBMB-ZDUSSCGKSA-N
XLogP0.95
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,6-trimethyl-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 32753002
N-(2-hydroxyethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 110883675
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 91954067
N-(3-hydroxypropyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 110886199
ethyl N-[4-methyl-1-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]pentan-2-yl]carbamate
CID 46432663
6-cyclopropyl-N-(2-hydroxypropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 110886666
2-[[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245066
2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 119223760
N-[1-(4-fluorophenyl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621030
N-[[4-(dimethylamino)phenyl]methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621872
1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 16622625
1,3,6-trimethyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46456457

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 1,3,6-trimethyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide (CID 95314902) is 1,3,6-trimethyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1,3,6-trimethyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1,3,6-trimethyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NC[C@H](C)N2CCN(C)CC2)c2c(C)nn(C)c2n1.
What is the InChIKey of 1,3,6-trimethyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is BBGUVMRVCOSBMB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H28N6O/c1-12-10-15(16-14(3)21-23(5)17(16)20-12)18(25)19-11-13(2)24-8-6-22(4)7-9-24/h10,13H,6-9,11H2,1-5H3,(H,19,25)/t13-/m0/s1.
What are the key properties of 1,3,6-trimethyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
1,3,6-trimethyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 95314902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).