N-(2-cyano-2-methylpropyl)-6-[2-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazine-2-carboxamide

C20H18N8O — CID 142493100

IUPACN-(2-cyano-2-methylpropyl)-6-[2-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazine-2-carboxamide
SMILESCC(C)(C#N)CNC(=O)c1cncc(-c2cnc3[nH]c(-c4cn[nH]c4)cc3c2)n1
InChIInChI=1S/C20H18N8O/c1-20(2,10-21)11-24-19(29)17-9-22-8-16(27-17)13-3-12-4-15(14-6-25-26-7-14)28-18(12)23-5-13/h3-9H,11H2,1-2H3,(H,23,28)(H,24,29)(H,25,26)
InChIKeyQXFWDFSGGXZBAE-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.69
Rot. Bonds5

About N-(2-cyano-2-methylpropyl)-6-[2-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazine-2-carboxamide

N-(2-cyano-2-methylpropyl)-6-[2-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazine-2-carboxamide (PubChem CID 142493100) has the molecular formula C20H18N8O and a molecular weight of 386.42 g/mol. Its IUPAC name is N-(2-cyano-2-methylpropyl)-6-[2-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-2-methylpropyl)-6-[2-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazine-2-carboxamide
PubChem CID142493100
Molecular FormulaC20H18N8O
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC NameN-(2-cyano-2-methylpropyl)-6-[2-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazine-2-carboxamide
SMILESCC(C)(C#N)CNC(=O)c1cncc(-c2cnc3[nH]c(-c4cn[nH]c4)cc3c2)n1
InChIInChI=1S/C20H18N8O/c1-20(2,10-21)11-24-19(29)17-9-22-8-16(27-17)13-3-12-4-15(14-6-25-26-7-14)28-18(12)23-5-13/h3-9H,11H2,1-2H3,(H,23,28)(H,24,29)(H,25,26)
InChIKeyQXFWDFSGGXZBAE-UHFFFAOYSA-N
XLogP2.69
TPSA136.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-2-methylpropyl)-6-[2-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazine-2-carboxamide?
The IUPAC name of N-(2-cyano-2-methylpropyl)-6-[2-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazine-2-carboxamide (CID 142493100) is N-(2-cyano-2-methylpropyl)-6-[2-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-cyano-2-methylpropyl)-6-[2-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-(2-cyano-2-methylpropyl)-6-[2-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazine-2-carboxamide is CC(C)(C#N)CNC(=O)c1cncc(-c2cnc3[nH]c(-c4cn[nH]c4)cc3c2)n1.
What is the InChIKey of N-(2-cyano-2-methylpropyl)-6-[2-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazine-2-carboxamide?
The InChIKey is QXFWDFSGGXZBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8O/c1-20(2,10-21)11-24-19(29)17-9-22-8-16(27-17)13-3-12-4-15(14-6-25-26-7-14)28-18(12)23-5-13/h3-9H,11H2,1-2H3,(H,23,28)(H,24,29)(H,25,26).
What are the key properties of N-(2-cyano-2-methylpropyl)-6-[2-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazine-2-carboxamide?
N-(2-cyano-2-methylpropyl)-6-[2-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazine-2-carboxamide has a molecular weight of 386.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-2-methylpropyl)-6-[2-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 142493100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).