N-tert-butyl-2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C19H19ClN6O — CID 71279444

IUPACN-tert-butyl-2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2ccc(Cl)cc21
InChIInChI=1S/C19H19ClN6O/c1-19(2,3)24-18(27)12-8-21-17-16(12)23-13(9-22-17)15-11-6-5-10(20)7-14(11)26(4)25-15/h5-9H,1-4H3,(H,21,22)(H,24,27)
InChIKeyGYZYQCKKUYZJRF-UHFFFAOYSA-N
MW382.86 g/mol
LogP3.69
Rot. Bonds2

About N-tert-butyl-2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-tert-butyl-2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71279444) has the molecular formula C19H19ClN6O and a molecular weight of 382.86 g/mol. Its IUPAC name is N-tert-butyl-2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71279444
Molecular FormulaC19H19ClN6O
Molecular Weight382.86 g/mol
Exact Mass382.13
IUPAC NameN-tert-butyl-2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2ccc(Cl)cc21
InChIInChI=1S/C19H19ClN6O/c1-19(2,3)24-18(27)12-8-21-17-16(12)23-13(9-22-17)15-11-6-5-10(20)7-14(11)26(4)25-15/h5-9H,1-4H3,(H,21,22)(H,24,27)
InChIKeyGYZYQCKKUYZJRF-UHFFFAOYSA-N
XLogP3.69
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.86
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-tert-butyl-2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71279444) is N-tert-butyl-2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-tert-butyl-2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2ccc(Cl)cc21.
What is the InChIKey of N-tert-butyl-2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is GYZYQCKKUYZJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O/c1-19(2,3)24-18(27)12-8-21-17-16(12)23-13(9-22-17)15-11-6-5-10(20)7-14(11)26(4)25-15/h5-9H,1-4H3,(H,21,22)(H,24,27).
What are the key properties of N-tert-butyl-2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-tert-butyl-2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 382.86 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71279444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).