(1-ethylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]methanone

C18H21N5O — CID 162749190

IUPAC(1-ethylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]methanone
SMILESCCn1cc(C(=O)N2CCC(c3ccnc4[nH]ccc34)CC2)cn1
InChIInChI=1S/C18H21N5O/c1-2-23-12-14(11-21-23)18(24)22-9-5-13(6-10-22)15-3-7-19-17-16(15)4-8-20-17/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3,(H,19,20)
InChIKeyWIJFIQKXAXLLKO-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.80
Rot. Bonds3

About (1-ethylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]methanone

(1-ethylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]methanone (PubChem CID 162749190) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]methanone
PubChem CID162749190
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name(1-ethylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]methanone
SMILESCCn1cc(C(=O)N2CCC(c3ccnc4[nH]ccc34)CC2)cn1
InChIInChI=1S/C18H21N5O/c1-2-23-12-14(11-21-23)18(24)22-9-5-13(6-10-22)15-3-7-19-17-16(15)4-8-20-17/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3,(H,19,20)
InChIKeyWIJFIQKXAXLLKO-UHFFFAOYSA-N
XLogP2.80
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-ethylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

3-oxo-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]propanenitrile
CID 175807836
(1-ethylpyrazol-4-yl)-piperazin-1-ylmethanone
CID 83883921
6-[(3R)-1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 125007295
[(3S)-3-aminopyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 119934311
3,9-diazabicyclo[4.2.1]nonan-3-yl-(1-ethylpyrazol-4-yl)methanone;hydrochloride
CID 119636568
4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 141455734
[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 124953187
4-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 162749068
(1-ethylpyrazol-4-yl)-[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 72891051
(1-ethylpyrazol-4-yl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 70737159
4-[1-[(5-cyclopropylthiophen-2-yl)methyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 162749012
[4-(methylsulfanylmethyl)phenyl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 87010084

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-ethylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]methanone (CID 162749190) is (1-ethylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]methanone is CCn1cc(C(=O)N2CCC(c3ccnc4[nH]ccc34)CC2)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]methanone?
The InChIKey is WIJFIQKXAXLLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-2-23-12-14(11-21-23)18(24)22-9-5-13(6-10-22)15-3-7-19-17-16(15)4-8-20-17/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3,(H,19,20).
What are the key properties of (1-ethylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]methanone?
(1-ethylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]methanone has a molecular weight of 323.40 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 162749190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).