2-amino-1-(6-fluoro-5-methyl-1H-indazol-4-yl)-5-(2-hydroxyethyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide

C19H19FN6O2 — CID 172557936

IUPAC2-amino-1-(6-fluoro-5-methyl-1H-indazol-4-yl)-5-(2-hydroxyethyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCc1nc2c(cc1CCO)c(C(N)=O)c(N)n2-c1c(C)c(F)cc2[nH]ncc12
InChIInChI=1S/C19H19FN6O2/c1-8-13(20)6-14-12(7-23-25-14)16(8)26-17(21)15(18(22)28)11-5-10(3-4-27)9(2)24-19(11)26/h5-7,27H,3-4,21H2,1-2H3,(H2,22,28)(H,23,25)
InChIKeyFMAHAYSBZPILSE-UHFFFAOYSA-N
MW382.40 g/mol
LogP1.87
Rot. Bonds4

About 2-amino-1-(6-fluoro-5-methyl-1H-indazol-4-yl)-5-(2-hydroxyethyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide

2-amino-1-(6-fluoro-5-methyl-1H-indazol-4-yl)-5-(2-hydroxyethyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 172557936) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is 2-amino-1-(6-fluoro-5-methyl-1H-indazol-4-yl)-5-(2-hydroxyethyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-(6-fluoro-5-methyl-1H-indazol-4-yl)-5-(2-hydroxyethyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID172557936
Molecular FormulaC19H19FN6O2
Molecular Weight382.40 g/mol
Exact Mass382.16
IUPAC Name2-amino-1-(6-fluoro-5-methyl-1H-indazol-4-yl)-5-(2-hydroxyethyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCc1nc2c(cc1CCO)c(C(N)=O)c(N)n2-c1c(C)c(F)cc2[nH]ncc12
InChIInChI=1S/C19H19FN6O2/c1-8-13(20)6-14-12(7-23-25-14)16(8)26-17(21)15(18(22)28)11-5-10(3-4-27)9(2)24-19(11)26/h5-7,27H,3-4,21H2,1-2H3,(H2,22,28)(H,23,25)
InChIKeyFMAHAYSBZPILSE-UHFFFAOYSA-N
XLogP1.87
TPSA135.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 51.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6-fluoro-5-methyl-1H-indazol-4-yl)-5-(2-hydroxyethyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 2-amino-1-(6-fluoro-5-methyl-1H-indazol-4-yl)-5-(2-hydroxyethyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide (CID 172557936) is 2-amino-1-(6-fluoro-5-methyl-1H-indazol-4-yl)-5-(2-hydroxyethyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-1-(6-fluoro-5-methyl-1H-indazol-4-yl)-5-(2-hydroxyethyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-1-(6-fluoro-5-methyl-1H-indazol-4-yl)-5-(2-hydroxyethyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide is Cc1nc2c(cc1CCO)c(C(N)=O)c(N)n2-c1c(C)c(F)cc2[nH]ncc12.
What is the InChIKey of 2-amino-1-(6-fluoro-5-methyl-1H-indazol-4-yl)-5-(2-hydroxyethyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is FMAHAYSBZPILSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O2/c1-8-13(20)6-14-12(7-23-25-14)16(8)26-17(21)15(18(22)28)11-5-10(3-4-27)9(2)24-19(11)26/h5-7,27H,3-4,21H2,1-2H3,(H2,22,28)(H,23,25).
What are the key properties of 2-amino-1-(6-fluoro-5-methyl-1H-indazol-4-yl)-5-(2-hydroxyethyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
2-amino-1-(6-fluoro-5-methyl-1H-indazol-4-yl)-5-(2-hydroxyethyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 382.40 g/mol, XLogP of 1.87, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6-fluoro-5-methyl-1H-indazol-4-yl)-5-(2-hydroxyethyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 172557936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).