N-(3-chloropyrazin-2-yl)-4-[2-[(2,3-difluorophenyl)methoxy]pyridine-4-carbonyl]piperazine-1-carboxamide

C22H19ClF2N6O3 — CID 88927334

IUPACN-(3-chloropyrazin-2-yl)-4-[2-[(2,3-difluorophenyl)methoxy]pyridine-4-carbonyl]piperazine-1-carboxamide
SMILESO=C(Nc1nccnc1Cl)N1CCN(C(=O)c2ccnc(OCc3cccc(F)c3F)c2)CC1
InChIInChI=1S/C22H19ClF2N6O3/c23-19-20(28-7-6-27-19)29-22(33)31-10-8-30(9-11-31)21(32)14-4-5-26-17(12-14)34-13-15-2-1-3-16(24)18(15)25/h1-7,12H,8-11,13H2,(H,28,29,33)
InChIKeyVUKGJABDEUYHFX-UHFFFAOYSA-N
MW488.88 g/mol
LogP3.37
Rot. Bonds5

About N-(3-chloropyrazin-2-yl)-4-[2-[(2,3-difluorophenyl)methoxy]pyridine-4-carbonyl]piperazine-1-carboxamide

N-(3-chloropyrazin-2-yl)-4-[2-[(2,3-difluorophenyl)methoxy]pyridine-4-carbonyl]piperazine-1-carboxamide (PubChem CID 88927334) has the molecular formula C22H19ClF2N6O3 and a molecular weight of 488.88 g/mol. Its IUPAC name is N-(3-chloropyrazin-2-yl)-4-[2-[(2,3-difluorophenyl)methoxy]pyridine-4-carbonyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloropyrazin-2-yl)-4-[2-[(2,3-difluorophenyl)methoxy]pyridine-4-carbonyl]piperazine-1-carboxamide
PubChem CID88927334
Molecular FormulaC22H19ClF2N6O3
Molecular Weight488.88 g/mol
Exact Mass488.12
IUPAC NameN-(3-chloropyrazin-2-yl)-4-[2-[(2,3-difluorophenyl)methoxy]pyridine-4-carbonyl]piperazine-1-carboxamide
SMILESO=C(Nc1nccnc1Cl)N1CCN(C(=O)c2ccnc(OCc3cccc(F)c3F)c2)CC1
InChIInChI=1S/C22H19ClF2N6O3/c23-19-20(28-7-6-27-19)29-22(33)31-10-8-30(9-11-31)21(32)14-4-5-26-17(12-14)34-13-15-2-1-3-16(24)18(15)25/h1-7,12H,8-11,13H2,(H,28,29,33)
InChIKeyVUKGJABDEUYHFX-UHFFFAOYSA-N
XLogP3.37
TPSA100.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.88
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloropyrazin-2-yl)-4-[2-[(2,3-difluorophenyl)methoxy]pyridine-4-carbonyl]piperazine-1-carboxamide?
The IUPAC name of N-(3-chloropyrazin-2-yl)-4-[2-[(2,3-difluorophenyl)methoxy]pyridine-4-carbonyl]piperazine-1-carboxamide (CID 88927334) is N-(3-chloropyrazin-2-yl)-4-[2-[(2,3-difluorophenyl)methoxy]pyridine-4-carbonyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chloropyrazin-2-yl)-4-[2-[(2,3-difluorophenyl)methoxy]pyridine-4-carbonyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-chloropyrazin-2-yl)-4-[2-[(2,3-difluorophenyl)methoxy]pyridine-4-carbonyl]piperazine-1-carboxamide is O=C(Nc1nccnc1Cl)N1CCN(C(=O)c2ccnc(OCc3cccc(F)c3F)c2)CC1.
What is the InChIKey of N-(3-chloropyrazin-2-yl)-4-[2-[(2,3-difluorophenyl)methoxy]pyridine-4-carbonyl]piperazine-1-carboxamide?
The InChIKey is VUKGJABDEUYHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF2N6O3/c23-19-20(28-7-6-27-19)29-22(33)31-10-8-30(9-11-31)21(32)14-4-5-26-17(12-14)34-13-15-2-1-3-16(24)18(15)25/h1-7,12H,8-11,13H2,(H,28,29,33).
What are the key properties of N-(3-chloropyrazin-2-yl)-4-[2-[(2,3-difluorophenyl)methoxy]pyridine-4-carbonyl]piperazine-1-carboxamide?
N-(3-chloropyrazin-2-yl)-4-[2-[(2,3-difluorophenyl)methoxy]pyridine-4-carbonyl]piperazine-1-carboxamide has a molecular weight of 488.88 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropyrazin-2-yl)-4-[2-[(2,3-difluorophenyl)methoxy]pyridine-4-carbonyl]piperazine-1-carboxamide is sourced from PubChem (CID 88927334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).