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

C17H16N6 — CID 133283992

IUPAC3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCC(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C17H16N6/c18-10-15-17(21-7-6-19-15)23-8-3-12(4-9-23)14-11-22-16-13(14)2-1-5-20-16/h1-2,5-7,11-12H,3-4,8-9H2,(H,20,22)
InChIKeyWCEGSGWRPYVRMC-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.61
Rot. Bonds2

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

3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 133283992) has the molecular formula C17H16N6 and a molecular weight of 304.36 g/mol. Its IUPAC name is 3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrazine-2-carbonitrile
PubChem CID133283992
Molecular FormulaC17H16N6
Molecular Weight304.36 g/mol
Exact Mass304.14
IUPAC Name3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCC(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C17H16N6/c18-10-15-17(21-7-6-19-15)23-8-3-12(4-9-23)14-11-22-16-13(14)2-1-5-20-16/h1-2,5-7,11-12H,3-4,8-9H2,(H,20,22)
InChIKeyWCEGSGWRPYVRMC-UHFFFAOYSA-N
XLogP2.61
TPSA81.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrazine-2-carbonitrile (CID 133283992) is 3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrazine-2-carbonitrile is N#Cc1nccnc1N1CCC(c2c[nH]c3ncccc23)CC1.
What is the InChIKey of 3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is WCEGSGWRPYVRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6/c18-10-15-17(21-7-6-19-15)23-8-3-12(4-9-23)14-11-22-16-13(14)2-1-5-20-16/h1-2,5-7,11-12H,3-4,8-9H2,(H,20,22).
What are the key properties of 3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrazine-2-carbonitrile?
3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 304.36 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 133283992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).