4-[(3S)-3-ethylpiperidin-1-yl]-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine

C17H21N5 — CID 167687788

IUPAC4-[(3S)-3-ethylpiperidin-1-yl]-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCC[C@H]1CCCN(c2ccnc3[nH]cc(-c4ccn[nH]4)c23)C1
InChIInChI=1S/C17H21N5/c1-2-12-4-3-9-22(11-12)15-6-7-18-17-16(15)13(10-19-17)14-5-8-20-21-14/h5-8,10,12H,2-4,9,11H2,1H3,(H,18,19)(H,20,21)/t12-/m0/s1
InChIKeyWLYXBGLPDYQILQ-LBPRGKRZSA-N
MW295.39 g/mol
LogP3.58
Rot. Bonds3

About 4-[(3S)-3-ethylpiperidin-1-yl]-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine

4-[(3S)-3-ethylpiperidin-1-yl]-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 167687788) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-[(3S)-3-ethylpiperidin-1-yl]-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-[(3S)-3-ethylpiperidin-1-yl]-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID167687788
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name4-[(3S)-3-ethylpiperidin-1-yl]-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCC[C@H]1CCCN(c2ccnc3[nH]cc(-c4ccn[nH]4)c23)C1
InChIInChI=1S/C17H21N5/c1-2-12-4-3-9-22(11-12)15-6-7-18-17-16(15)13(10-19-17)14-5-8-20-21-14/h5-8,10,12H,2-4,9,11H2,1H3,(H,18,19)(H,20,21)/t12-/m0/s1
InChIKeyWLYXBGLPDYQILQ-LBPRGKRZSA-N
XLogP3.58
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(3S)-3-ethylpiperidin-1-yl]-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

4-[(3S)-3-ethylpiperidin-1-yl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 167612656
4-[4-[(3S)-3-ethylpiperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole
CID 167591577
(3R)-N-ethyl-1-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-amine
CID 165156760
N-methyl-N'-[1-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]ethane-1,2-diamine
CID 165156646
4-piperidin-1-yl-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine
CID 165156769
6-[4-[(3R)-3-(methylamino)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-amine
CID 165156679
4-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 58395795
2-methoxyethyl(trimethyl)silane;methyl-N-[1-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]boronamidic acid
CID 167660714
2-methoxyethyl(trimethyl)silane;methyl-N-[(3R)-1-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]boronamidic acid
CID 167660713
4-[4-[(3R)-3-ethoxypyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 58395803
2-(3-ethylpiperidin-1-yl)pyrazine
CID 146424567
N-[4-(3-aminopiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide
CID 118496982

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-ethylpiperidin-1-yl]-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-[(3S)-3-ethylpiperidin-1-yl]-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine (CID 167687788) is 4-[(3S)-3-ethylpiperidin-1-yl]-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-[(3S)-3-ethylpiperidin-1-yl]-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-[(3S)-3-ethylpiperidin-1-yl]-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine is CC[C@H]1CCCN(c2ccnc3[nH]cc(-c4ccn[nH]4)c23)C1.
What is the InChIKey of 4-[(3S)-3-ethylpiperidin-1-yl]-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is WLYXBGLPDYQILQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21N5/c1-2-12-4-3-9-22(11-12)15-6-7-18-17-16(15)13(10-19-17)14-5-8-20-21-14/h5-8,10,12H,2-4,9,11H2,1H3,(H,18,19)(H,20,21)/t12-/m0/s1.
What are the key properties of 4-[(3S)-3-ethylpiperidin-1-yl]-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
4-[(3S)-3-ethylpiperidin-1-yl]-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 295.39 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-ethylpiperidin-1-yl]-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 167687788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).