1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide

C20H22N4O — CID 16622625

IUPAC1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC2(c3ccccc3)CC2)c2c(C)nn(C)c2n1
InChIInChI=1S/C20H22N4O/c1-13-11-16(17-14(2)23-24(3)18(17)22-13)19(25)21-12-20(9-10-20)15-7-5-4-6-8-15/h4-8,11H,9-10,12H2,1-3H3,(H,21,25)
InChIKeyCNDKZIGYKCUKRT-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.05
Rot. Bonds4

About 1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide

1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 16622625) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID16622625
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC2(c3ccccc3)CC2)c2c(C)nn(C)c2n1
InChIInChI=1S/C20H22N4O/c1-13-11-16(17-14(2)23-24(3)18(17)22-13)19(25)21-12-20(9-10-20)15-7-5-4-6-8-15/h4-8,11H,9-10,12H2,1-3H3,(H,21,25)
InChIKeyCNDKZIGYKCUKRT-UHFFFAOYSA-N
XLogP3.05
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 91954067
1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 37025261
4-[[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120541557
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-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 120887382
1,3,6-trimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 38447194
N-(3-hydroxypropyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 110886199
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 111658866
N-[(3-chlorophenyl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 46514405
N-(1,3-benzothiazol-2-ylmethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 38285036
N-(1,1-diphenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 55588598

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide (CID 16622625) is 1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCC2(c3ccccc3)CC2)c2c(C)nn(C)c2n1.
What is the InChIKey of 1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is CNDKZIGYKCUKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-13-11-16(17-14(2)23-24(3)18(17)22-13)19(25)21-12-20(9-10-20)15-7-5-4-6-8-15/h4-8,11H,9-10,12H2,1-3H3,(H,21,25).
What are the key properties of 1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 16622625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).