1-[4-[(1-acetylpiperidin-4-yl)amino]-1-ethylpyrazolo[3,4-b]pyridin-5-yl]ethanone

C17H23N5O2 — CID 58629430

IUPAC1-[4-[(1-acetylpiperidin-4-yl)amino]-1-ethylpyrazolo[3,4-b]pyridin-5-yl]ethanone
SMILESCCn1ncc2c(NC3CCN(C(C)=O)CC3)c(C(C)=O)cnc21
InChIInChI=1S/C17H23N5O2/c1-4-22-17-15(10-19-22)16(14(9-18-17)11(2)23)20-13-5-7-21(8-6-13)12(3)24/h9-10,13H,4-8H2,1-3H3,(H,18,20)
InChIKeyLGOCUBKZCPZDAX-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.08
Rot. Bonds4

About 1-[4-[(1-acetylpiperidin-4-yl)amino]-1-ethylpyrazolo[3,4-b]pyridin-5-yl]ethanone

1-[4-[(1-acetylpiperidin-4-yl)amino]-1-ethylpyrazolo[3,4-b]pyridin-5-yl]ethanone (PubChem CID 58629430) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[4-[(1-acetylpiperidin-4-yl)amino]-1-ethylpyrazolo[3,4-b]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(1-acetylpiperidin-4-yl)amino]-1-ethylpyrazolo[3,4-b]pyridin-5-yl]ethanone
PubChem CID58629430
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-[4-[(1-acetylpiperidin-4-yl)amino]-1-ethylpyrazolo[3,4-b]pyridin-5-yl]ethanone
SMILESCCn1ncc2c(NC3CCN(C(C)=O)CC3)c(C(C)=O)cnc21
InChIInChI=1S/C17H23N5O2/c1-4-22-17-15(10-19-22)16(14(9-18-17)11(2)23)20-13-5-7-21(8-6-13)12(3)24/h9-10,13H,4-8H2,1-3H3,(H,18,20)
InChIKeyLGOCUBKZCPZDAX-UHFFFAOYSA-N
XLogP2.08
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-ethyl-4-(oxan-3-ylamino)pyrazolo[3,4-b]pyridin-5-yl]ethanone
CID 58629470
4-[(1-acetylpiperidin-4-yl)amino]-1-ethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69006827
4-[(1-acetylpiperidin-4-yl)amino]-1-ethyl-N-[(3-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69006000
1-ethyl-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69007438
1-ethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69008589
1-ethyl-4-[(4-hydroxyiminocyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 87790704
1-[1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridin-5-yl]ethanone
CID 118316977
ethyl 1-ethyl-4-(piperidin-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride
CID 68580193
N-(2-amino-2-oxoethyl)-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69007590
4-[(1-carbamoylpiperidin-4-yl)amino]-1-ethyl-N-[(1R)-1-(2,4,6-trimethylphenyl)propyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69247965
1-[3-[4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridin-5-yl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl]ethanone
CID 91036388
2-[2-[4-(cyclopentylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbonyl]hydrazinyl]-2-oxoethanesulfinic acid
CID 70343703

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-acetylpiperidin-4-yl)amino]-1-ethylpyrazolo[3,4-b]pyridin-5-yl]ethanone?
The IUPAC name of 1-[4-[(1-acetylpiperidin-4-yl)amino]-1-ethylpyrazolo[3,4-b]pyridin-5-yl]ethanone (CID 58629430) is 1-[4-[(1-acetylpiperidin-4-yl)amino]-1-ethylpyrazolo[3,4-b]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[4-[(1-acetylpiperidin-4-yl)amino]-1-ethylpyrazolo[3,4-b]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[4-[(1-acetylpiperidin-4-yl)amino]-1-ethylpyrazolo[3,4-b]pyridin-5-yl]ethanone is CCn1ncc2c(NC3CCN(C(C)=O)CC3)c(C(C)=O)cnc21.
What is the InChIKey of 1-[4-[(1-acetylpiperidin-4-yl)amino]-1-ethylpyrazolo[3,4-b]pyridin-5-yl]ethanone?
The InChIKey is LGOCUBKZCPZDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-4-22-17-15(10-19-22)16(14(9-18-17)11(2)23)20-13-5-7-21(8-6-13)12(3)24/h9-10,13H,4-8H2,1-3H3,(H,18,20).
What are the key properties of 1-[4-[(1-acetylpiperidin-4-yl)amino]-1-ethylpyrazolo[3,4-b]pyridin-5-yl]ethanone?
1-[4-[(1-acetylpiperidin-4-yl)amino]-1-ethylpyrazolo[3,4-b]pyridin-5-yl]ethanone has a molecular weight of 329.40 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-acetylpiperidin-4-yl)amino]-1-ethylpyrazolo[3,4-b]pyridin-5-yl]ethanone is sourced from PubChem (CID 58629430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).