2-(2-hydroxy-1-methyl-4,5,6,7-tetrahydro-3H-indazol-3-yl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C18H24N6O2 — CID 78050550

IUPAC2-(2-hydroxy-1-methyl-4,5,6,7-tetrahydro-3H-indazol-3-yl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)NC(=O)c1c[nH]c2ncc(C3C4=C(CCCC4)N(C)N3O)nc12
InChIInChI=1S/C18H24N6O2/c1-10(2)21-18(25)12-8-19-17-15(12)22-13(9-20-17)16-11-6-4-5-7-14(11)23(3)24(16)26/h8-10,16,26H,4-7H2,1-3H3,(H,19,20)(H,21,25)
InChIKeyHPCHLBVYJZEOFJ-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.52
Rot. Bonds3

About 2-(2-hydroxy-1-methyl-4,5,6,7-tetrahydro-3H-indazol-3-yl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(2-hydroxy-1-methyl-4,5,6,7-tetrahydro-3H-indazol-3-yl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 78050550) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-(2-hydroxy-1-methyl-4,5,6,7-tetrahydro-3H-indazol-3-yl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxy-1-methyl-4,5,6,7-tetrahydro-3H-indazol-3-yl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID78050550
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name2-(2-hydroxy-1-methyl-4,5,6,7-tetrahydro-3H-indazol-3-yl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)NC(=O)c1c[nH]c2ncc(C3C4=C(CCCC4)N(C)N3O)nc12
InChIInChI=1S/C18H24N6O2/c1-10(2)21-18(25)12-8-19-17-15(12)22-13(9-20-17)16-11-6-4-5-7-14(11)23(3)24(16)26/h8-10,16,26H,4-7H2,1-3H3,(H,19,20)(H,21,25)
InChIKeyHPCHLBVYJZEOFJ-UHFFFAOYSA-N
XLogP2.52
TPSA97.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(2-hydroxy-1-methyl-4,5,6,7-tetrahydro-3H-indazol-3-yl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-1-methyl-4,5,6,7-tetrahydro-3H-indazol-3-yl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(2-hydroxy-1-methyl-4,5,6,7-tetrahydro-3H-indazol-3-yl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 78050550) is 2-(2-hydroxy-1-methyl-4,5,6,7-tetrahydro-3H-indazol-3-yl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(2-hydroxy-1-methyl-4,5,6,7-tetrahydro-3H-indazol-3-yl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(2-hydroxy-1-methyl-4,5,6,7-tetrahydro-3H-indazol-3-yl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)NC(=O)c1c[nH]c2ncc(C3C4=C(CCCC4)N(C)N3O)nc12.
What is the InChIKey of 2-(2-hydroxy-1-methyl-4,5,6,7-tetrahydro-3H-indazol-3-yl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is HPCHLBVYJZEOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-10(2)21-18(25)12-8-19-17-15(12)22-13(9-20-17)16-11-6-4-5-7-14(11)23(3)24(16)26/h8-10,16,26H,4-7H2,1-3H3,(H,19,20)(H,21,25).
What are the key properties of 2-(2-hydroxy-1-methyl-4,5,6,7-tetrahydro-3H-indazol-3-yl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(2-hydroxy-1-methyl-4,5,6,7-tetrahydro-3H-indazol-3-yl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-1-methyl-4,5,6,7-tetrahydro-3H-indazol-3-yl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 78050550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).