N,1-dimethyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)indole-5-carboxamide

C17H15N5O — CID 68508275

IUPACN,1-dimethyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)indole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)c(-c1cnc3[nH]ccc3n1)cn2C
InChIInChI=1S/C17H15N5O/c1-18-17(23)10-3-4-15-11(7-10)12(9-22(15)2)14-8-20-16-13(21-14)5-6-19-16/h3-9H,1-2H3,(H,18,23)(H,19,20)
InChIKeyHCUSLGKRDPISIX-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.48
Rot. Bonds2

About N,1-dimethyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)indole-5-carboxamide

N,1-dimethyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)indole-5-carboxamide (PubChem CID 68508275) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is N,1-dimethyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)indole-5-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)indole-5-carboxamide
PubChem CID68508275
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC NameN,1-dimethyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)indole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)c(-c1cnc3[nH]ccc3n1)cn2C
InChIInChI=1S/C17H15N5O/c1-18-17(23)10-3-4-15-11(7-10)12(9-22(15)2)14-8-20-16-13(21-14)5-6-19-16/h3-9H,1-2H3,(H,18,23)(H,19,20)
InChIKeyHCUSLGKRDPISIX-UHFFFAOYSA-N
XLogP2.48
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)indole-5-carboxamide?
The IUPAC name of N,1-dimethyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)indole-5-carboxamide (CID 68508275) is N,1-dimethyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)indole-5-carboxamide.
What is the SMILES notation for N,1-dimethyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)indole-5-carboxamide?
The canonical SMILES for N,1-dimethyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)indole-5-carboxamide is CNC(=O)c1ccc2c(c1)c(-c1cnc3[nH]ccc3n1)cn2C.
What is the InChIKey of N,1-dimethyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)indole-5-carboxamide?
The InChIKey is HCUSLGKRDPISIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-18-17(23)10-3-4-15-11(7-10)12(9-22(15)2)14-8-20-16-13(21-14)5-6-19-16/h3-9H,1-2H3,(H,18,23)(H,19,20).
What are the key properties of N,1-dimethyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)indole-5-carboxamide?
N,1-dimethyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)indole-5-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)indole-5-carboxamide is sourced from PubChem (CID 68508275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).