(1-ethyl-6-methylpyrazolo[3,4-b]pyridin-5-yl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

C17H21N7O — CID 129006569

IUPAC(1-ethyl-6-methylpyrazolo[3,4-b]pyridin-5-yl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESCCn1ncc2cc(C(=O)N3CCCCC3c3ncn[nH]3)c(C)nc21
InChIInChI=1S/C17H21N7O/c1-3-24-16-12(9-20-24)8-13(11(2)21-16)17(25)23-7-5-4-6-14(23)15-18-10-19-22-15/h8-10,14H,3-7H2,1-2H3,(H,18,19,22)
InChIKeyRNYKZGYJUGVKTI-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.25
Rot. Bonds3

About (1-ethyl-6-methylpyrazolo[3,4-b]pyridin-5-yl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

(1-ethyl-6-methylpyrazolo[3,4-b]pyridin-5-yl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (PubChem CID 129006569) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is (1-ethyl-6-methylpyrazolo[3,4-b]pyridin-5-yl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethyl-6-methylpyrazolo[3,4-b]pyridin-5-yl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
PubChem CID129006569
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name(1-ethyl-6-methylpyrazolo[3,4-b]pyridin-5-yl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESCCn1ncc2cc(C(=O)N3CCCCC3c3ncn[nH]3)c(C)nc21
InChIInChI=1S/C17H21N7O/c1-3-24-16-12(9-20-24)8-13(11(2)21-16)17(25)23-7-5-4-6-14(23)15-18-10-19-22-15/h8-10,14H,3-7H2,1-2H3,(H,18,19,22)
InChIKeyRNYKZGYJUGVKTI-UHFFFAOYSA-N
XLogP2.25
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

(5-methyl-1-pentan-3-ylpyrazol-4-yl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 122135234
(1-tert-butyl-3-methylpyrazol-4-yl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 128993946
1H-indazol-7-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 84596747
2-methyl-6-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile
CID 129398226
(2,2,3,3-tetramethylcyclopropyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 128991556
(3-fluoro-4-pyridinyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 128993661
1-[4-[2-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]phenyl]ethanone
CID 84594447
(3-chloro-2-fluorophenyl)-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 129398214
(3-tert-butylcyclobutyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 128664958
[3-(hydroxymethyl)phenyl]-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 129351286
quinoxalin-5-yl-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 129487916
1H-pyrrol-2-yl-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 97332578

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-6-methylpyrazolo[3,4-b]pyridin-5-yl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-ethyl-6-methylpyrazolo[3,4-b]pyridin-5-yl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (CID 129006569) is (1-ethyl-6-methylpyrazolo[3,4-b]pyridin-5-yl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethyl-6-methylpyrazolo[3,4-b]pyridin-5-yl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-ethyl-6-methylpyrazolo[3,4-b]pyridin-5-yl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is CCn1ncc2cc(C(=O)N3CCCCC3c3ncn[nH]3)c(C)nc21.
What is the InChIKey of (1-ethyl-6-methylpyrazolo[3,4-b]pyridin-5-yl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is RNYKZGYJUGVKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-3-24-16-12(9-20-24)8-13(11(2)21-16)17(25)23-7-5-4-6-14(23)15-18-10-19-22-15/h8-10,14H,3-7H2,1-2H3,(H,18,19,22).
What are the key properties of (1-ethyl-6-methylpyrazolo[3,4-b]pyridin-5-yl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
(1-ethyl-6-methylpyrazolo[3,4-b]pyridin-5-yl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 339.40 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-6-methylpyrazolo[3,4-b]pyridin-5-yl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 129006569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).