N-[1-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]benzamide

C28H31N5O3 — CID 43040476

IUPACN-[1-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]benzamide
SMILESCc1cc(-c2cc(C(=O)N3CCC(NC(=O)c4ccccc4)CC3)c3cnn(C(C)C)c3n2)c(C)o1
InChIInChI=1S/C28H31N5O3/c1-17(2)33-26-24(16-29-33)23(15-25(31-26)22-14-18(3)36-19(22)4)28(35)32-12-10-21(11-13-32)30-27(34)20-8-6-5-7-9-20/h5-9,14-17,21H,10-13H2,1-4H3,(H,30,34)
InChIKeyRKCNCYSZTCDVPI-UHFFFAOYSA-N
MW485.59 g/mol
LogP4.92
Rot. Bonds5

About N-[1-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]benzamide

N-[1-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]benzamide (PubChem CID 43040476) has the molecular formula C28H31N5O3 and a molecular weight of 485.59 g/mol. Its IUPAC name is N-[1-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]benzamide
PubChem CID43040476
Molecular FormulaC28H31N5O3
Molecular Weight485.59 g/mol
Exact Mass485.24
IUPAC NameN-[1-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]benzamide
SMILESCc1cc(-c2cc(C(=O)N3CCC(NC(=O)c4ccccc4)CC3)c3cnn(C(C)C)c3n2)c(C)o1
InChIInChI=1S/C28H31N5O3/c1-17(2)33-26-24(16-29-33)23(15-25(31-26)22-14-18(3)36-19(22)4)28(35)32-12-10-21(11-13-32)30-27(34)20-8-6-5-7-9-20/h5-9,14-17,21H,10-13H2,1-4H3,(H,30,34)
InChIKeyRKCNCYSZTCDVPI-UHFFFAOYSA-N
XLogP4.92
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 55487028
6-(2-methylphenyl)-1-propan-2-yl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55847840
N-[1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]benzamide
CID 33309444
2-[4-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide
CID 78835364
tert-butyl N-[1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]carbamate
CID 55736757
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26246644
[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55918933
6-(2,5-dimethylfuran-3-yl)-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119500414
N-(2-aminoethyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119382405
6-(2,5-dimethylfuran-3-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 112807922
N-butyl-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55485914
6-(2,5-dimethylthiophen-3-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16613695

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]benzamide (CID 43040476) is N-[1-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]benzamide is Cc1cc(-c2cc(C(=O)N3CCC(NC(=O)c4ccccc4)CC3)c3cnn(C(C)C)c3n2)c(C)o1.
What is the InChIKey of N-[1-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]benzamide?
The InChIKey is RKCNCYSZTCDVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3/c1-17(2)33-26-24(16-29-33)23(15-25(31-26)22-14-18(3)36-19(22)4)28(35)32-12-10-21(11-13-32)30-27(34)20-8-6-5-7-9-20/h5-9,14-17,21H,10-13H2,1-4H3,(H,30,34).
What are the key properties of N-[1-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]benzamide?
N-[1-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]benzamide has a molecular weight of 485.59 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 43040476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).