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

C22H19ClF2N6O4S — CID 164594135

IUPAC6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-propan-2-ylimidazo[1,5-a]pyrazine-1-carboxamide
SMILESCOc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2cn3cnc(C(=O)NC(C)C)c3cn2)c1F
InChIInChI=1S/C22H19ClF2N6O4S/c1-11(2)29-21(32)20-16-8-26-15(9-31(16)10-28-20)18-13(24)4-5-14(19(18)25)30-36(33,34)17-6-12(23)7-27-22(17)35-3/h4-11,30H,1-3H3,(H,29,32)
InChIKeyPFFKVXJTKLWOEK-UHFFFAOYSA-N
MW536.95 g/mol
LogP3.67
Rot. Bonds7

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

6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-propan-2-ylimidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 164594135) has the molecular formula C22H19ClF2N6O4S and a molecular weight of 536.95 g/mol. Its IUPAC name is 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-propan-2-ylimidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound Name6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-propan-2-ylimidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID164594135
Molecular FormulaC22H19ClF2N6O4S
Molecular Weight536.95 g/mol
Exact Mass536.08
IUPAC Name6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-propan-2-ylimidazo[1,5-a]pyrazine-1-carboxamide
SMILESCOc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2cn3cnc(C(=O)NC(C)C)c3cn2)c1F
InChIInChI=1S/C22H19ClF2N6O4S/c1-11(2)29-21(32)20-16-8-26-15(9-31(16)10-28-20)18-13(24)4-5-14(19(18)25)30-36(33,34)17-6-12(23)7-27-22(17)35-3/h4-11,30H,1-3H3,(H,29,32)
InChIKeyPFFKVXJTKLWOEK-UHFFFAOYSA-N
XLogP3.67
TPSA127.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.95
LogP ≤ 53.67
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-propan-2-ylimidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-propan-2-ylimidazo[1,5-a]pyrazine-1-carboxamide (CID 164594135) is 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-propan-2-ylimidazo[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-propan-2-ylimidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-propan-2-ylimidazo[1,5-a]pyrazine-1-carboxamide is COc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2cn3cnc(C(=O)NC(C)C)c3cn2)c1F.
What is the InChIKey of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-propan-2-ylimidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is PFFKVXJTKLWOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF2N6O4S/c1-11(2)29-21(32)20-16-8-26-15(9-31(16)10-28-20)18-13(24)4-5-14(19(18)25)30-36(33,34)17-6-12(23)7-27-22(17)35-3/h4-11,30H,1-3H3,(H,29,32).
What are the key properties of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-propan-2-ylimidazo[1,5-a]pyrazine-1-carboxamide?
6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-propan-2-ylimidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 536.95 g/mol, XLogP of 3.67, 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-propan-2-ylimidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 164594135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).