N-(5-methylhexan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C17H26N4O — CID 16581530

IUPACN-(5-methylhexan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)CCC(C)NC(=O)c1cnc2c(cnn2C(C)C)c1
InChIInChI=1S/C17H26N4O/c1-11(2)6-7-13(5)20-17(22)15-8-14-10-19-21(12(3)4)16(14)18-9-15/h8-13H,6-7H2,1-5H3,(H,20,22)
InChIKeyCKQQNNFPZAMPKG-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.57
Rot. Bonds6

About N-(5-methylhexan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

N-(5-methylhexan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 16581530) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID16581530
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-(5-methylhexan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)CCC(C)NC(=O)c1cnc2c(cnn2C(C)C)c1
InChIInChI=1S/C17H26N4O/c1-11(2)6-7-13(5)20-17(22)15-8-14-10-19-21(12(3)4)16(14)18-9-15/h8-13H,6-7H2,1-5H3,(H,20,22)
InChIKeyCKQQNNFPZAMPKG-UHFFFAOYSA-N
XLogP3.57
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(furan-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 18132141
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 51296666
5-phenyl-4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 120547250
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 120944386
N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 35247874
N'-(4-fluorobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide
CID 46523701
N-[1-(4-methoxyphenyl)-2-methylpropyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 18151097
N-[cyclopropyl-(4-methylphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 42929689
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 16581596
1-propan-2-yl-N'-(pyridine-3-carbonyl)pyrazolo[3,4-b]pyridine-5-carbohydrazide
CID 42157844
1-(3-methylbutyl)-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea
CID 51116464
N-(3-cyanophenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 42160130

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(5-methylhexan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 16581530) is N-(5-methylhexan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(5-methylhexan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(5-methylhexan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is CC(C)CCC(C)NC(=O)c1cnc2c(cnn2C(C)C)c1.
What is the InChIKey of N-(5-methylhexan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is CKQQNNFPZAMPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-11(2)6-7-13(5)20-17(22)15-8-14-10-19-21(12(3)4)16(14)18-9-15/h8-13H,6-7H2,1-5H3,(H,20,22).
What are the key properties of N-(5-methylhexan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-(5-methylhexan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 16581530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).