2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C18H17FN6O2 — CID 126605544

IUPAC2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)NC(=O)c1c[nH]c2ncc(-c3nc(CO)n4cc(F)ccc34)nc12
InChIInChI=1S/C18H17FN6O2/c1-9(2)22-18(27)11-5-20-17-15(11)23-12(6-21-17)16-13-4-3-10(19)7-25(13)14(8-26)24-16/h3-7,9,26H,8H2,1-2H3,(H,20,21)(H,22,27)
InChIKeyIUSZQQDVBAUABF-UHFFFAOYSA-N
MW368.37 g/mol
LogP2.04
Rot. Bonds4

About 2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 126605544) has the molecular formula C18H17FN6O2 and a molecular weight of 368.37 g/mol. Its IUPAC name is 2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID126605544
Molecular FormulaC18H17FN6O2
Molecular Weight368.37 g/mol
Exact Mass368.14
IUPAC Name2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)NC(=O)c1c[nH]c2ncc(-c3nc(CO)n4cc(F)ccc34)nc12
InChIInChI=1S/C18H17FN6O2/c1-9(2)22-18(27)11-5-20-17-15(11)23-12(6-21-17)16-13-4-3-10(19)7-25(13)14(8-26)24-16/h3-7,9,26H,8H2,1-2H3,(H,20,21)(H,22,27)
InChIKeyIUSZQQDVBAUABF-UHFFFAOYSA-N
XLogP2.04
TPSA108.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 126605544) is 2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)NC(=O)c1c[nH]c2ncc(-c3nc(CO)n4cc(F)ccc34)nc12.
What is the InChIKey of 2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is IUSZQQDVBAUABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O2/c1-9(2)22-18(27)11-5-20-17-15(11)23-12(6-21-17)16-13-4-3-10(19)7-25(13)14(8-26)24-16/h3-7,9,26H,8H2,1-2H3,(H,20,21)(H,22,27).
What are the key properties of 2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 368.37 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 126605544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).