(6R)-6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N,7-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C21H21ClF2N6O4S — CID 164594428

IUPAC(6R)-6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N,7-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCNC(=O)c1ncn2c1CN(C)[C@H](c1c(F)ccc(NS(=O)(=O)c3cc(Cl)cnc3OC)c1F)C2
InChIInChI=1S/C21H21ClF2N6O4S/c1-25-20(31)19-15-8-29(2)14(9-30(15)10-27-19)17-12(23)4-5-13(18(17)24)28-35(32,33)16-6-11(22)7-26-21(16)34-3/h4-7,10,14,28H,8-9H2,1-3H3,(H,25,31)/t14-/m0/s1
InChIKeyWNZXBAQNVZOKAO-AWEZNQCLSA-N
MW526.95 g/mol
LogP2.57
Rot. Bonds6

About (6R)-6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N,7-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

(6R)-6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N,7-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 164594428) has the molecular formula C21H21ClF2N6O4S and a molecular weight of 526.95 g/mol. Its IUPAC name is (6R)-6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N,7-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound Name(6R)-6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N,7-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID164594428
Molecular FormulaC21H21ClF2N6O4S
Molecular Weight526.95 g/mol
Exact Mass526.10
IUPAC Name(6R)-6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N,7-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCNC(=O)c1ncn2c1CN(C)[C@H](c1c(F)ccc(NS(=O)(=O)c3cc(Cl)cnc3OC)c1F)C2
InChIInChI=1S/C21H21ClF2N6O4S/c1-25-20(31)19-15-8-29(2)14(9-30(15)10-27-19)17-12(23)4-5-13(18(17)24)28-35(32,33)16-6-11(22)7-26-21(16)34-3/h4-7,10,14,28H,8-9H2,1-3H3,(H,25,31)/t14-/m0/s1
InChIKeyWNZXBAQNVZOKAO-AWEZNQCLSA-N
XLogP2.57
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.95
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (6R)-6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N,7-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N,7-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of (6R)-6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N,7-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 164594428) is (6R)-6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N,7-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.
What is the SMILES notation for (6R)-6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N,7-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for (6R)-6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N,7-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is CNC(=O)c1ncn2c1CN(C)[C@H](c1c(F)ccc(NS(=O)(=O)c3cc(Cl)cnc3OC)c1F)C2.
What is the InChIKey of (6R)-6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N,7-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is WNZXBAQNVZOKAO-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H21ClF2N6O4S/c1-25-20(31)19-15-8-29(2)14(9-30(15)10-27-19)17-12(23)4-5-13(18(17)24)28-35(32,33)16-6-11(22)7-26-21(16)34-3/h4-7,10,14,28H,8-9H2,1-3H3,(H,25,31)/t14-/m0/s1.
What are the key properties of (6R)-6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N,7-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
(6R)-6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N,7-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 526.95 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N,7-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 164594428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).