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

C18H23N5 — CID 167612656

IUPAC4-[(3S)-3-ethylpiperidin-1-yl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCC[C@H]1CCCN(c2ccnc3[nH]cc(-c4cnn(C)c4)c23)C1
InChIInChI=1S/C18H23N5/c1-3-13-5-4-8-23(11-13)16-6-7-19-18-17(16)15(10-20-18)14-9-21-22(2)12-14/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3,(H,19,20)/t13-/m0/s1
InChIKeyLGYYMTHNVLDMCW-ZDUSSCGKSA-N
MW309.42 g/mol
LogP3.59
Rot. Bonds3

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

4-[(3S)-3-ethylpiperidin-1-yl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 167612656) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 4-[(3S)-3-ethylpiperidin-1-yl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-[(3S)-3-ethylpiperidin-1-yl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID167612656
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name4-[(3S)-3-ethylpiperidin-1-yl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCC[C@H]1CCCN(c2ccnc3[nH]cc(-c4cnn(C)c4)c23)C1
InChIInChI=1S/C18H23N5/c1-3-13-5-4-8-23(11-13)16-6-7-19-18-17(16)15(10-20-18)14-9-21-22(2)12-14/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3,(H,19,20)/t13-/m0/s1
InChIKeyLGYYMTHNVLDMCW-ZDUSSCGKSA-N
XLogP3.59
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-ethylpiperidin-1-yl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-[(3S)-3-ethylpiperidin-1-yl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 167612656) is 4-[(3S)-3-ethylpiperidin-1-yl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-[(3S)-3-ethylpiperidin-1-yl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-[(3S)-3-ethylpiperidin-1-yl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is CC[C@H]1CCCN(c2ccnc3[nH]cc(-c4cnn(C)c4)c23)C1.
What is the InChIKey of 4-[(3S)-3-ethylpiperidin-1-yl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is LGYYMTHNVLDMCW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N5/c1-3-13-5-4-8-23(11-13)16-6-7-19-18-17(16)15(10-20-18)14-9-21-22(2)12-14/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3,(H,19,20)/t13-/m0/s1.
What are the key properties of 4-[(3S)-3-ethylpiperidin-1-yl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
4-[(3S)-3-ethylpiperidin-1-yl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 309.42 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-ethylpiperidin-1-yl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 167612656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).