6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-ethylimidazo[1,5-a]pyrazine-1-carboxamide

C21H17ClF2N6O4S — CID 164594387

IUPAC6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-ethylimidazo[1,5-a]pyrazine-1-carboxamide
SMILESCCNC(=O)c1ncn2cc(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)cnc4OC)c3F)ncc12
InChIInChI=1S/C21H17ClF2N6O4S/c1-3-25-20(31)19-15-8-26-14(9-30(15)10-28-19)17-12(23)4-5-13(18(17)24)29-35(32,33)16-6-11(22)7-27-21(16)34-2/h4-10,29H,3H2,1-2H3,(H,25,31)
InChIKeyKRAXVFRHHYMBST-UHFFFAOYSA-N
MW522.92 g/mol
LogP3.28
Rot. Bonds7

About 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-ethylimidazo[1,5-a]pyrazine-1-carboxamide

6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-ethylimidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 164594387) has the molecular formula C21H17ClF2N6O4S and a molecular weight of 522.92 g/mol. Its IUPAC name is 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-ethylimidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound Name6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-ethylimidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID164594387
Molecular FormulaC21H17ClF2N6O4S
Molecular Weight522.92 g/mol
Exact Mass522.07
IUPAC Name6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-ethylimidazo[1,5-a]pyrazine-1-carboxamide
SMILESCCNC(=O)c1ncn2cc(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)cnc4OC)c3F)ncc12
InChIInChI=1S/C21H17ClF2N6O4S/c1-3-25-20(31)19-15-8-26-14(9-30(15)10-28-19)17-12(23)4-5-13(18(17)24)29-35(32,33)16-6-11(22)7-27-21(16)34-2/h4-10,29H,3H2,1-2H3,(H,25,31)
InChIKeyKRAXVFRHHYMBST-UHFFFAOYSA-N
XLogP3.28
TPSA127.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.92
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-ethylimidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-ethylimidazo[1,5-a]pyrazine-1-carboxamide (CID 164594387) is 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-ethylimidazo[1,5-a]pyrazine-1-carboxamide.
What is the SMILES notation for 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-ethylimidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-ethylimidazo[1,5-a]pyrazine-1-carboxamide is CCNC(=O)c1ncn2cc(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)cnc4OC)c3F)ncc12.
What is the InChIKey of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-ethylimidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is KRAXVFRHHYMBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF2N6O4S/c1-3-25-20(31)19-15-8-26-14(9-30(15)10-28-19)17-12(23)4-5-13(18(17)24)29-35(32,33)16-6-11(22)7-27-21(16)34-2/h4-10,29H,3H2,1-2H3,(H,25,31).
What are the key properties of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-ethylimidazo[1,5-a]pyrazine-1-carboxamide?
6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-ethylimidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 522.92 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-ethylimidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 164594387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).