1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide

C20H22N4O — CID 37025261

IUPAC1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2c(cc1C(=O)NCC1(c3ccccc3)CC1)c(C)nn2C
InChIInChI=1S/C20H22N4O/c1-13-17(11-16-14(2)23-24(3)18(16)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)
InChIKeyYRCZRQRJYWZOMF-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.05
Rot. Bonds4

About 1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide

1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 37025261) 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-5-carboxamide.

Molecular Properties

Compound Name1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID37025261
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2c(cc1C(=O)NCC1(c3ccccc3)CC1)c(C)nn2C
InChIInChI=1S/C20H22N4O/c1-13-17(11-16-14(2)23-24(3)18(16)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)
InChIKeyYRCZRQRJYWZOMF-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

1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 16622625
N-[2-(benzylamino)-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46446216
N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 139010525
(2S)-3-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid
CID 119366419
N-[(1-phenylcyclopropyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880151
N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 37028631
N-hexyl-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 37031751
5-chloro-1,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]pyrazole-4-carboxamide
CID 24652393
2-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid
CID 167936768
1,3,6-trimethyl-N-pyridin-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 36998675
2-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-3-carboxamide
CID 110467135
2-hydroxy-4-methyl-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 32625534

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide (CID 37025261) is 1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nc2c(cc1C(=O)NCC1(c3ccccc3)CC1)c(C)nn2C.
What is the InChIKey of 1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is YRCZRQRJYWZOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-13-17(11-16-14(2)23-24(3)18(16)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-5-carboxamide?
1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-5-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-5-carboxamide is sourced from PubChem (CID 37025261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).