N-tert-butyl-2-[3-(1-hydroxyethyl)anilino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C19H23N5O2 — CID 73295948

IUPACN-tert-butyl-2-[3-(1-hydroxyethyl)anilino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(O)c1cccc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c1
InChIInChI=1S/C19H23N5O2/c1-11(25)12-6-5-7-13(8-12)22-15-10-21-17-16(23-15)14(9-20-17)18(26)24-19(2,3)4/h5-11,25H,1-4H3,(H,20,21)(H,22,23)(H,24,26)
InChIKeyWDFIRAASCCQJKG-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.28
Rot. Bonds4

About N-tert-butyl-2-[3-(1-hydroxyethyl)anilino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-tert-butyl-2-[3-(1-hydroxyethyl)anilino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 73295948) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-tert-butyl-2-[3-(1-hydroxyethyl)anilino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-[3-(1-hydroxyethyl)anilino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID73295948
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-tert-butyl-2-[3-(1-hydroxyethyl)anilino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(O)c1cccc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c1
InChIInChI=1S/C19H23N5O2/c1-11(25)12-6-5-7-13(8-12)22-15-10-21-17-16(23-15)14(9-20-17)18(26)24-19(2,3)4/h5-11,25H,1-4H3,(H,20,21)(H,22,23)(H,24,26)
InChIKeyWDFIRAASCCQJKG-UHFFFAOYSA-N
XLogP3.28
TPSA102.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-(1-hydroxyethyl)anilino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-tert-butyl-2-[3-(1-hydroxyethyl)anilino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 73295948) is N-tert-butyl-2-[3-(1-hydroxyethyl)anilino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-tert-butyl-2-[3-(1-hydroxyethyl)anilino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-tert-butyl-2-[3-(1-hydroxyethyl)anilino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(O)c1cccc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c1.
What is the InChIKey of N-tert-butyl-2-[3-(1-hydroxyethyl)anilino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is WDFIRAASCCQJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-11(25)12-6-5-7-13(8-12)22-15-10-21-17-16(23-15)14(9-20-17)18(26)24-19(2,3)4/h5-11,25H,1-4H3,(H,20,21)(H,22,23)(H,24,26).
What are the key properties of N-tert-butyl-2-[3-(1-hydroxyethyl)anilino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-tert-butyl-2-[3-(1-hydroxyethyl)anilino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 3.28, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[3-(1-hydroxyethyl)anilino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 73295948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).