ethyl N-[1-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentan-2-yl]carbamate

C22H29N5O3S — CID 55673579

IUPACethyl N-[1-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C)CC(C)C
InChIInChI=1S/C22H29N5O3S/c1-6-30-22(29)24-15(10-13(2)3)12-23-21(28)16-11-17(18-8-7-9-31-18)25-20-19(16)14(4)26-27(20)5/h7-9,11,13,15H,6,10,12H2,1-5H3,(H,23,28)(H,24,29)
InChIKeyQVJVIPHEDUQFPI-UHFFFAOYSA-N
MW443.57 g/mol
LogP3.90
Rot. Bonds8

About ethyl N-[1-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentan-2-yl]carbamate

ethyl N-[1-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentan-2-yl]carbamate (PubChem CID 55673579) has the molecular formula C22H29N5O3S and a molecular weight of 443.57 g/mol. Its IUPAC name is ethyl N-[1-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentan-2-yl]carbamate
PubChem CID55673579
Molecular FormulaC22H29N5O3S
Molecular Weight443.57 g/mol
Exact Mass443.20
IUPAC Nameethyl N-[1-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C)CC(C)C
InChIInChI=1S/C22H29N5O3S/c1-6-30-22(29)24-15(10-13(2)3)12-23-21(28)16-11-17(18-8-7-9-31-18)25-20-19(16)14(4)26-27(20)5/h7-9,11,13,15H,6,10,12H2,1-5H3,(H,23,28)(H,24,29)
InChIKeyQVJVIPHEDUQFPI-UHFFFAOYSA-N
XLogP3.90
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl N-[4-methyl-1-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]pentan-2-yl]carbamate
CID 46432663
N-(3-hydroxybutyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 111428920
ethyl 1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 43021003
1,3-dimethyl-N-[1-oxo-1-(propylamino)propan-2-yl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46540837
1,3-dimethyl-N-[3-(methylamino)propyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119432081
1,3-dimethyl-N-[(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 86903200
2-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 119348272
1,3-dimethyl-N-[(3-methylphenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55558498
1,3-dimethyl-N-(2-pyridin-2-ylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 39898025
2-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxybutanoic acid
CID 120702259
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 51854363
N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 110001025

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentan-2-yl]carbamate?
The IUPAC name of ethyl N-[1-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentan-2-yl]carbamate (CID 55673579) is ethyl N-[1-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentan-2-yl]carbamate?
The canonical SMILES for ethyl N-[1-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentan-2-yl]carbamate is CCOC(=O)NC(CNC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C)CC(C)C.
What is the InChIKey of ethyl N-[1-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentan-2-yl]carbamate?
The InChIKey is QVJVIPHEDUQFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3S/c1-6-30-22(29)24-15(10-13(2)3)12-23-21(28)16-11-17(18-8-7-9-31-18)25-20-19(16)14(4)26-27(20)5/h7-9,11,13,15H,6,10,12H2,1-5H3,(H,23,28)(H,24,29).
What are the key properties of ethyl N-[1-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentan-2-yl]carbamate?
ethyl N-[1-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentan-2-yl]carbamate has a molecular weight of 443.57 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentan-2-yl]carbamate is sourced from PubChem (CID 55673579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).