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

C18H17ClN6O — CID 71279939

IUPAC2-(6-chloro-1-methylindazol-3-yl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12
InChIInChI=1S/C18H17ClN6O/c1-9(2)22-18(26)12-7-20-17-16(12)23-13(8-21-17)15-11-5-4-10(19)6-14(11)25(3)24-15/h4-9H,1-3H3,(H,20,21)(H,22,26)
InChIKeyQROQIIGDSDRLDZ-UHFFFAOYSA-N
MW368.83 g/mol
LogP3.30
Rot. Bonds3

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

2-(6-chloro-1-methylindazol-3-yl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71279939) has the molecular formula C18H17ClN6O and a molecular weight of 368.83 g/mol. Its IUPAC name is 2-(6-chloro-1-methylindazol-3-yl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(6-chloro-1-methylindazol-3-yl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71279939
Molecular FormulaC18H17ClN6O
Molecular Weight368.83 g/mol
Exact Mass368.12
IUPAC Name2-(6-chloro-1-methylindazol-3-yl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12
InChIInChI=1S/C18H17ClN6O/c1-9(2)22-18(26)12-7-20-17-16(12)23-13(8-21-17)15-11-5-4-10(19)6-14(11)25(3)24-15/h4-9H,1-3H3,(H,20,21)(H,22,26)
InChIKeyQROQIIGDSDRLDZ-UHFFFAOYSA-N
XLogP3.30
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.83
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-methylindazol-3-yl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(6-chloro-1-methylindazol-3-yl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71279939) is 2-(6-chloro-1-methylindazol-3-yl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(6-chloro-1-methylindazol-3-yl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(6-chloro-1-methylindazol-3-yl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12.
What is the InChIKey of 2-(6-chloro-1-methylindazol-3-yl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is QROQIIGDSDRLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6O/c1-9(2)22-18(26)12-7-20-17-16(12)23-13(8-21-17)15-11-5-4-10(19)6-14(11)25(3)24-15/h4-9H,1-3H3,(H,20,21)(H,22,26).
What are the key properties of 2-(6-chloro-1-methylindazol-3-yl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(6-chloro-1-methylindazol-3-yl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 368.83 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1-methylindazol-3-yl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71279939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).