N,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C18H22N4O2 — CID 36702758

IUPACN,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2cc3cnn(C(C)C)c3nc2C)o1
InChIInChI=1S/C18H22N4O2/c1-11(2)22-17-14(9-19-22)8-16(13(4)20-17)18(23)21(5)10-15-7-6-12(3)24-15/h6-9,11H,10H2,1-5H3
InChIKeyWVIDWYALSJCDEL-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.49
Rot. Bonds4

About N,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

N,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 36702758) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID36702758
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2cc3cnn(C(C)C)c3nc2C)o1
InChIInChI=1S/C18H22N4O2/c1-11(2)22-17-14(9-19-22)8-16(13(4)20-17)18(23)21(5)10-15-7-6-12(3)24-15/h6-9,11H,10H2,1-5H3
InChIKeyWVIDWYALSJCDEL-UHFFFAOYSA-N
XLogP3.49
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-methyl-5-[[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]methyl]furan-3-carboxylate
CID 34485072
N-[(3-fluorophenyl)methyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 17458660
N-[2-(4-chlorophenoxy)ethyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46684152
N-[(2-hydroxycyclopentyl)methyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 109399967
N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55779717
N-[(2-chlorophenyl)methyl]-N-ethyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55587213
6-methyl-1-[(5-methylfuran-2-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 43329016
6-methyl-N-[3-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119429541
propan-2-yl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 55473328
N-[3-[(dimethylamino)methyl]phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 86932031
6-methyl-1-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 55538272
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 17455409

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 36702758) is N,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1ccc(CN(C)C(=O)c2cc3cnn(C(C)C)c3nc2C)o1.
What is the InChIKey of N,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is WVIDWYALSJCDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-11(2)22-17-14(9-19-22)8-16(13(4)20-17)18(23)21(5)10-15-7-6-12(3)24-15/h6-9,11H,10H2,1-5H3.
What are the key properties of N,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
N,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 36702758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).