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

C19H19FN6O3 — CID 78050532

IUPACN-(1,3-dihydroxybutan-2-yl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(O)C(CO)NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12
InChIInChI=1S/C19H19FN6O3/c1-9(28)14(8-27)24-19(29)12-6-21-18-17(12)23-13(7-22-18)16-11-4-3-10(20)5-15(11)26(2)25-16/h3-7,9,14,27-28H,8H2,1-2H3,(H,21,22)(H,24,29)
InChIKeyKPTAWRAIUWULEG-UHFFFAOYSA-N
MW398.40 g/mol
LogP1.12
Rot. Bonds5

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

N-(1,3-dihydroxybutan-2-yl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 78050532) has the molecular formula C19H19FN6O3 and a molecular weight of 398.40 g/mol. Its IUPAC name is N-(1,3-dihydroxybutan-2-yl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(1,3-dihydroxybutan-2-yl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID78050532
Molecular FormulaC19H19FN6O3
Molecular Weight398.40 g/mol
Exact Mass398.15
IUPAC NameN-(1,3-dihydroxybutan-2-yl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(O)C(CO)NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12
InChIInChI=1S/C19H19FN6O3/c1-9(28)14(8-27)24-19(29)12-6-21-18-17(12)23-13(7-22-18)16-11-4-3-10(20)5-15(11)26(2)25-16/h3-7,9,14,27-28H,8H2,1-2H3,(H,21,22)(H,24,29)
InChIKeyKPTAWRAIUWULEG-UHFFFAOYSA-N
XLogP1.12
TPSA128.95 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.40
LogP ≤ 51.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxybutan-2-yl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-(1,3-dihydroxybutan-2-yl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 78050532) is N-(1,3-dihydroxybutan-2-yl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-(1,3-dihydroxybutan-2-yl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-(1,3-dihydroxybutan-2-yl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(O)C(CO)NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12.
What is the InChIKey of N-(1,3-dihydroxybutan-2-yl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is KPTAWRAIUWULEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O3/c1-9(28)14(8-27)24-19(29)12-6-21-18-17(12)23-13(7-22-18)16-11-4-3-10(20)5-15(11)26(2)25-16/h3-7,9,14,27-28H,8H2,1-2H3,(H,21,22)(H,24,29).
What are the key properties of N-(1,3-dihydroxybutan-2-yl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-(1,3-dihydroxybutan-2-yl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 398.40 g/mol, XLogP of 1.12, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxybutan-2-yl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 78050532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).