3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5-(5-ethyl-6-piperidin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine

C29H37N7 — CID 170066085

IUPAC3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5-(5-ethyl-6-piperidin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCc1cc(-c2cnc3[nH]cc(-c4cnn(C5CCN(CC)CC5)c4)c3c2)cnc1N1CCCCC1
InChIInChI=1S/C29H37N7/c1-3-21-14-22(17-32-29(21)35-10-6-5-7-11-35)23-15-26-27(19-31-28(26)30-16-23)24-18-33-36(20-24)25-8-12-34(4-2)13-9-25/h14-20,25H,3-13H2,1-2H3,(H,30,31)
InChIKeySJVGFQKJHVRBRW-UHFFFAOYSA-N
MW483.66 g/mol
LogP5.70
Rot. Bonds6

About 3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5-(5-ethyl-6-piperidin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine

3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5-(5-ethyl-6-piperidin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 170066085) has the molecular formula C29H37N7 and a molecular weight of 483.66 g/mol. Its IUPAC name is 3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5-(5-ethyl-6-piperidin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5-(5-ethyl-6-piperidin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID170066085
Molecular FormulaC29H37N7
Molecular Weight483.66 g/mol
Exact Mass483.31
IUPAC Name3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5-(5-ethyl-6-piperidin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCc1cc(-c2cnc3[nH]cc(-c4cnn(C5CCN(CC)CC5)c4)c3c2)cnc1N1CCCCC1
InChIInChI=1S/C29H37N7/c1-3-21-14-22(17-32-29(21)35-10-6-5-7-11-35)23-15-26-27(19-31-28(26)30-16-23)24-18-33-36(20-24)25-8-12-34(4-2)13-9-25/h14-20,25H,3-13H2,1-2H3,(H,30,31)
InChIKeySJVGFQKJHVRBRW-UHFFFAOYSA-N
XLogP5.70
TPSA65.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.66
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5-(5-ethyl-6-piperidin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5-(5-ethyl-6-piperidin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine (CID 170066085) is 3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5-(5-ethyl-6-piperidin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5-(5-ethyl-6-piperidin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5-(5-ethyl-6-piperidin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine is CCc1cc(-c2cnc3[nH]cc(-c4cnn(C5CCN(CC)CC5)c4)c3c2)cnc1N1CCCCC1.
What is the InChIKey of 3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5-(5-ethyl-6-piperidin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is SJVGFQKJHVRBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N7/c1-3-21-14-22(17-32-29(21)35-10-6-5-7-11-35)23-15-26-27(19-31-28(26)30-16-23)24-18-33-36(20-24)25-8-12-34(4-2)13-9-25/h14-20,25H,3-13H2,1-2H3,(H,30,31).
What are the key properties of 3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5-(5-ethyl-6-piperidin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5-(5-ethyl-6-piperidin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 483.66 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5-(5-ethyl-6-piperidin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 170066085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).