(1-methylpyrrol-2-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone

C17H19N5O — CID 110118701

IUPAC(1-methylpyrrol-2-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone
SMILESCn1cccc1C(=O)N1CCCC(c2ccc3cn[nH]c3n2)C1
InChIInChI=1S/C17H19N5O/c1-21-8-3-5-15(21)17(23)22-9-2-4-13(11-22)14-7-6-12-10-18-20-16(12)19-14/h3,5-8,10,13H,2,4,9,11H2,1H3,(H,18,19,20)
InChIKeyADQFPYADOABOHY-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.32
Rot. Bonds2

About (1-methylpyrrol-2-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone

(1-methylpyrrol-2-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone (PubChem CID 110118701) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrrol-2-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone
PubChem CID110118701
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name(1-methylpyrrol-2-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone
SMILESCn1cccc1C(=O)N1CCCC(c2ccc3cn[nH]c3n2)C1
InChIInChI=1S/C17H19N5O/c1-21-8-3-5-15(21)17(23)22-9-2-4-13(11-22)14-7-6-12-10-18-20-16(12)19-14/h3,5-8,10,13H,2,4,9,11H2,1H3,(H,18,19,20)
InChIKeyADQFPYADOABOHY-UHFFFAOYSA-N
XLogP2.32
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-methylpyrrol-2-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone
CID 124963907
(3-ethyl-1,2-oxazol-5-yl)-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone
CID 124971670
2-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124941129
(4,4-difluorocyclohexyl)-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone
CID 124981162
(5-propyl-1,2-oxazol-3-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone
CID 110118698
[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 125002143
2-(4-methoxyphenyl)-1-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]ethanone
CID 110118665
[(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 99841425
(1-methylpyrrol-2-yl)-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]methanone
CID 155881332
4-imidazol-1-yl-1-[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]butan-1-one
CID 124980416
1-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110118699
3-(2-fluorophenyl)-1-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]propan-1-one
CID 110118717

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-2-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-methylpyrrol-2-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone (CID 110118701) is (1-methylpyrrol-2-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrrol-2-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrrol-2-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone is Cn1cccc1C(=O)N1CCCC(c2ccc3cn[nH]c3n2)C1.
What is the InChIKey of (1-methylpyrrol-2-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone?
The InChIKey is ADQFPYADOABOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-21-8-3-5-15(21)17(23)22-9-2-4-13(11-22)14-7-6-12-10-18-20-16(12)19-14/h3,5-8,10,13H,2,4,9,11H2,1H3,(H,18,19,20).
What are the key properties of (1-methylpyrrol-2-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone?
(1-methylpyrrol-2-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone has a molecular weight of 309.37 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-2-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110118701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).