1-ethyl-N-(2-ethylbutyl)-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide

C20H31N5O2 — CID 10090751

IUPAC1-ethyl-N-(2-ethylbutyl)-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCC(CC)CNC(=O)c1cnc2c(cnn2CC)c1NC1CCOCC1
InChIInChI=1S/C20H31N5O2/c1-4-14(5-2)11-22-20(26)17-12-21-19-16(13-23-25(19)6-3)18(17)24-15-7-9-27-10-8-15/h12-15H,4-11H2,1-3H3,(H,21,24)(H,22,26)
InChIKeyYJCYQAANLQCHJC-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.21
Rot. Bonds8

About 1-ethyl-N-(2-ethylbutyl)-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide

1-ethyl-N-(2-ethylbutyl)-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 10090751) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-ethyl-N-(2-ethylbutyl)-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(2-ethylbutyl)-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID10090751
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name1-ethyl-N-(2-ethylbutyl)-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCC(CC)CNC(=O)c1cnc2c(cnn2CC)c1NC1CCOCC1
InChIInChI=1S/C20H31N5O2/c1-4-14(5-2)11-22-20(26)17-12-21-19-16(13-23-25(19)6-3)18(17)24-15-7-9-27-10-8-15/h12-15H,4-11H2,1-3H3,(H,21,24)(H,22,26)
InChIKeyYJCYQAANLQCHJC-UHFFFAOYSA-N
XLogP3.21
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Tracazolate
CID 5522
Cartazolate
CID 37015
1-ethyl-N-(phenylmethyl)-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo(3,4-b)pyridine-5-carboxamide
CID 9821178
Ridine-5-carboxylic acid ethyl ester
CID 14590509
(R)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-((6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino)-4-(isopropylamino)nicotinamide
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1-Ethyl-5-[3-(2-Oxo-2-Pyrrolidin-1-Ylethyl)-1,2,4-Oxadiazol-5-Yl]-N-(Tetrahydro-2h-Pyran-4-Yl)-1h-Pyrazolo[3,4-B]pyridin-4-Amine
CID 10455087
N-[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 44530259
1-Ethyl-4-(N''-isopropylidene-hydrazino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester
CID 53694473
(R)-6-(5-Cyano-1H-pyrazolo[3,4-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(isopropylamino)nicotinamide
CID 118206002
5-[5-[[(3S)-oxolan-3-yl]amino]-6-(1-propan-2-ylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 168274914
4-Amino-1-(3-pentyn-1-yl)-N-2-propen-1-yl-1H-pyrazolo(3,4-b)pyridine-5-carboxamide
CID 128415
ethyl 4-(cyclopentylamino)-1-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-ethylbutyl)-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-ethyl-N-(2-ethylbutyl)-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 10090751) is 1-ethyl-N-(2-ethylbutyl)-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-(2-ethylbutyl)-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-ethyl-N-(2-ethylbutyl)-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide is CCC(CC)CNC(=O)c1cnc2c(cnn2CC)c1NC1CCOCC1.
What is the InChIKey of 1-ethyl-N-(2-ethylbutyl)-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is YJCYQAANLQCHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-4-14(5-2)11-22-20(26)17-12-21-19-16(13-23-25(19)6-3)18(17)24-15-7-9-27-10-8-15/h12-15H,4-11H2,1-3H3,(H,21,24)(H,22,26).
What are the key properties of 1-ethyl-N-(2-ethylbutyl)-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide?
1-ethyl-N-(2-ethylbutyl)-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-ethylbutyl)-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 10090751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).